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16890412
 
#1

eMolecules: 26994116
Molport: MolPort-003-054-801
AKOS: AKOS001610533
American Custom Chemicals Corp.: CHM0193068
ChemDiv: 1612-0997...14 total

ref: mol2, SDF, SMILES, flexibase
2.91,7.07,-37.38,2,6,1, 337.355, 3

Similar to: 5170651,
5195435
 
#2

eMolecules: 1116674
Molport: MolPort-001-843-744
AKOS: AKOS001595664
ChemDiv: 2608-0921
Life Chemicals: F0882-0329...16 total

ref: mol2, SDF, SMILES, flexibase
4.40,6.46,-21.11,2,6,0, 404.447, 3
16890407
 
#3

eMolecules: 4948813
Molport: MolPort-003-056-343
AKOS: AKOS001572482
American Custom Chemicals Corp.: CHM0176539
ChemDiv: 1319-0001...14 total

ref: mol2, SDF, SMILES, flexibase
2.66,8.09,-43.87,2,6,1, 332.339, 2
18284847
 
#4

eMolecules: 702671
Molport: MolPort-001-819-276
AKOS: AKOS005379589
Aldrich CPR: R994952|ALDRICH
IBScreen: STOCK3S-33959...21 total

ref: mol2, SDF, SMILES, flexibase
2.23,3.79,-29.97,4,7,1, 338.372, 4
ref: mol2, SDF, SMILES, flexibase
2.41,3.82,-12.29,3,7,0, 337.364, 3
mid: mol2, SDF, SMILES, flexibase
3.32,1.24,-18.67,3,7,0, 337.364, 3
mid: mol2, SDF, SMILES, flexibase
3.32,0.31,-11.42,3,7,0, 337.364, 3
mid: mol2, SDF, SMILES, flexibase
2.23,3.82,-36.13,4,7,1, 338.372, 4
mid: mol2, SDF, SMILES, flexibase
2.41,3.64,-18.07,3,7,0, 337.364, 3
mid: mol2, SDF, SMILES, flexibase
2.41,3.76,-14.42,3,7,0, 337.364, 3
hi: mol2, SDF, SMILES, flexibase
2.87,1.81,-54.95,2,7,-1, 336.356, 3
hi: mol2, SDF, SMILES, flexibase
2.87,2.02,-50.79,2,7,-1, 336.356, 3
hi: mol2, SDF, SMILES, flexibase
2.87,2.06,-43.38,2,7,-1, 336.356, 3
hi: mol2, SDF, SMILES, flexibase
3.32,1.11,-47.36,2,7,-1, 336.356, 3
hi: mol2, SDF, SMILES, flexibase
3.32,1.23,-54.38,2,7,-1, 336.356, 3
hi: mol2, SDF, SMILES, flexibase
3.32,2.05,-48.15,2,7,-1, 336.356, 3
hi: mol2, SDF, SMILES, flexibase
3.32,2.19,-57.87,2,7,-1, 336.356, 3
hi: mol2, SDF, SMILES, flexibase
2.87,1.75,-58.19,2,7,-1, 336.356, 3
18105990
 
#5

eMolecules: 1352845, 643611
Molport: MolPort-002-358-880
AKOS: AKOS005384348
Aldrich CPR: R525049|ALDRICH, L261475|ALDRICH
Asinex: BAS01859098...26 total

ref: mol2, SDF, SMILES, flexibase
2.61,4.69,-31.97,4,7,1, 350.333, 4
ref: mol2, SDF, SMILES, flexibase
2.79,4.75,-12.03,3,7,0, 349.325, 3
mid: mol2, SDF, SMILES, flexibase
3.70,2.3,-17.9,3,7,0, 349.325, 3
mid: mol2, SDF, SMILES, flexibase
2.79,4.55,-18.62,3,7,0, 349.325, 3
mid: mol2, SDF, SMILES, flexibase
3.70,1.37,-10.95,3,7,0, 349.325, 3
mid: mol2, SDF, SMILES, flexibase
2.79,4.67,-14.87,3,7,0, 349.325, 3
mid: mol2, SDF, SMILES, flexibase
2.61,4.75,-37.19,4,7,1, 350.333, 4
hi: mol2, SDF, SMILES, flexibase
3.70,3.12,-45.52,2,7,-1, 348.317, 3
hi: mol2, SDF, SMILES, flexibase
3.70,2.17,-45.7,2,7,-1, 348.317, 3
hi: mol2, SDF, SMILES, flexibase
3.70,2.14,-53.22,2,7,-1, 348.317, 3
hi: mol2, SDF, SMILES, flexibase
3.25,2.67,-58.05,2,7,-1, 348.317, 3
hi: mol2, SDF, SMILES, flexibase
3.25,2.73,-54.26,2,7,-1, 348.317, 3
hi: mol2, SDF, SMILES, flexibase
3.25,2.94,-50.49,2,7,-1, 348.317, 3
hi: mol2, SDF, SMILES, flexibase
3.25,2.99,-42.55,2,7,-1, 348.317, 3
hi: mol2, SDF, SMILES, flexibase
3.70,3.1,-56.44,2,7,-1, 348.317, 3

Similar to: 5093130, 5093791, 5093827, 5093851, ... 4 in total.
17146977
 
#6

Molport: MolPort-002-358-889
Enamine: Z56848178
IBScreen: STOCK3S-30673
Pharmeks: PHAR038372
Princeton BioMolecular Research: OSSK_399281...12 total

ref: mol2, SDF, SMILES, flexibase
5.48,5.15,-20.75,3,7,0, 460.291, 3
mid: mol2, SDF, SMILES, flexibase
5.48,5.15,-20.81,3,7,0, 460.291, 3
mid: mol2, SDF, SMILES, flexibase
5.48,4.19,-11.32,3,7,0, 460.291, 3
mid: mol2, SDF, SMILES, flexibase
4.57,7.53,-14.09,3,7,0, 460.291, 3
mid: mol2, SDF, SMILES, flexibase
4.39,7.59,-36.86,4,7,1, 461.299, 4
hi: mol2, SDF, SMILES, flexibase
5.03,5.83,-41.07,2,7,-1, 459.283, 3
hi: mol2, SDF, SMILES, flexibase
5.03,5.79,-46.7,2,7,-1, 459.283, 3
hi: mol2, SDF, SMILES, flexibase
5.48,5,-46.39,2,7,-1, 459.283, 3
hi: mol2, SDF, SMILES, flexibase
5.48,5.01,-51.32,2,7,-1, 459.283, 3
hi: mol2, SDF, SMILES, flexibase
5.48,5.97,-47.92,2,7,-1, 459.283, 3
hi: mol2, SDF, SMILES, flexibase
5.48,5.97,-56.33,2,7,-1, 459.283, 3

Similar to: 6448851, 6622220, 9065134,
1252472
 
#7

eMolecules: 660568
AKOS: AKOS000561684
Aldrich CPR: R652245|ALDRICH
Asinex: BAS01859446
ChemDiv: 3254-3921...20 total

ref: mol2, SDF, SMILES, flexibase
4.68,9.24,-12.55,3,6,0, 371.444, 5

Similar to: 4953945, 5297080, 1190016,
45282
 
#8

eMolecules: 206979829
AKOS: AKOS001343240
Enamine: Z57168448
IBScreen: STOCK3S-34144
Innovapharm: STT-00040190...14 total

ref: mol2, SDF, SMILES, flexibase
3.21,-1.37,-15.59,2,6,0, 345.406, 5
12468919
 
#9

eMolecules: 45952231
Molport: MolPort-019-738-819
AKOS: AKOS002180729
Innovapharm: STT-00069962
Mcule: MCULE-3256636079...17 total

ref: mol2, SDF, SMILES, flexibase
4.64,7.66,-14.15,2,6,0, 377.425, 3
mid: mol2, SDF, SMILES, flexibase
5.10,5.88,-53.44,1,6,-1, 376.417, 3

Similar to: 39862360, 39862462, 39862463, 39862467, 39862565, ... 47 in total.
9726076
 
#10

eMolecules: 26453252
Molport: MolPort-003-064-304
Life Chemicals: F1365-2975
Mcule: MCULE-1151715541
ChemDB: 6276622...11 total

ref: mol2, SDF, SMILES, flexibase
4.37,8.2,-23.54,2,8,0, 489.534, 3

Similar to: 33688328, 39716872,
16890508
 
#11

eMolecules: 45801308
Molport: MolPort-003-064-355
Life Chemicals: F1365-3041
Mcule: MCULE-2440095457
ChemDB: 6276688...10 total

ref: mol2, SDF, SMILES, flexibase
4.41,8.89,-13.28,1,5,0, 383.86, 3
9725117
 
#12

eMolecules: 45801038
Molport: MolPort-003-063-876
Life Chemicals: F1365-0724
Mcule: MCULE-5300957157
ChemDB: 6274371...10 total

ref: mol2, SDF, SMILES, flexibase
7.06,11.47,-11.83,0,4,0, 472.191, 5

Similar to: 36688430, 36688438, 39716830, 39721478, ... 4 in total.
6305446
 
#13

eMolecules: 45801310
Molport: MolPort-003-064-356
Life Chemicals: F1365-3042
Mcule: MCULE-3143406903
ChemDB: 6276689...10 total

ref: mol2, SDF, SMILES, flexibase
4.37,8.9,-15.78,1,5,0, 383.86, 3

Similar to: 9002688,
9725510
 
#14

eMolecules: 26452680
Molport: MolPort-003-064-017
Life Chemicals: F1365-1259
Mcule: MCULE-6253481733
ChemDB: 6274906...11 total

ref: mol2, SDF, SMILES, flexibase
4.86,8.23,-23.32,2,8,0, 491.55, 4

Similar to: 33688328, 39716683, 39716733, 39716832, 39716872, ... 5 in total.
6305397
 
#15

eMolecules: 45801312
Molport: MolPort-003-064-357
Life Chemicals: F1365-3043
Mcule: MCULE-5395872859
ChemDB: 6276690...10 total

ref: mol2, SDF, SMILES, flexibase
4.39,8.89,-14.64,1,5,0, 383.86, 3

Similar to: 9001421,
12378644
 
#16

eMolecules: 45801092
Molport: MolPort-003-064-076
Life Chemicals: F1365-1359
Mcule: MCULE-7377637504
ChemDB: 6275006...10 total

ref: mol2, SDF, SMILES, flexibase
4.38,7.74,-17.73,1,6,0, 408.508, 4
16890509
 
#17

eMolecules: 45801314
Molport: MolPort-003-064-360
Life Chemicals: F1365-3048
Mcule: MCULE-3227038006
ChemDB: 6276695...10 total

ref: mol2, SDF, SMILES, flexibase
3.90,8.44,-13.45,1,5,0, 367.405, 3
9725683
 
#18

eMolecules: 45801094
Molport: MolPort-003-064-077
Life Chemicals: F1365-1361
Mcule: MCULE-4682602432
ChemDB: 6275008...10 total

ref: mol2, SDF, SMILES, flexibase
5.05,8.05,-11.99,1,5,0, 436.356, 4

Similar to: 11726450,
9726219
 
#19

eMolecules: 45801320
Molport: MolPort-003-064-363
Life Chemicals: F1365-3051
Mcule: MCULE-6701879969
ChemDB: 6276698...10 total

ref: mol2, SDF, SMILES, flexibase
4.52,9,-14.63,1,5,0, 428.311, 3
6305364
 
#20

eMolecules: 45801096
Molport: MolPort-003-064-078
Life Chemicals: F1365-1362
Mcule: MCULE-7311959607
ChemDB: 6275009...10 total

ref: mol2, SDF, SMILES, flexibase
4.92,7.95,-11.98,1,5,0, 391.905, 4

Similar to: 11634547,
9726225
 
#21

eMolecules: 45801322
Molport: MolPort-003-064-364
Life Chemicals: F1365-3052
Mcule: MCULE-8850113880
ChemDB: 6276699...10 total

ref: mol2, SDF, SMILES, flexibase
4.50,9.01,-15.36,1,5,0, 428.311, 3
1050747
 
#22

eMolecules: 45802400
Molport: MolPort-001-840-093
AKOS: AKOS003615188
Life Chemicals: F1430-0071
Mcule: MCULE-1385511551...15 total

ref: mol2, SDF, SMILES, flexibase
4.97,12.99,-16.12,1,5,0, 402.885, 5
lo: mol2, SDF, SMILES, flexibase
4.97,13.28,-26.8,2,5,1, 403.893, 5
lo: mol2, SDF, SMILES, flexibase
4.97,12.17,-32.44,2,5,1, 403.893, 5
18038262
 
#23

eMolecules: 2110677
Molport: MolPort-002-172-303, MolPort-003-066-049
ChemBridge: 5849686
Labotest: LT00488452
Mcule: MCULE-9082840411...17 total

ref: mol2, SDF, SMILES, flexibase
3.91,7.08,-16.75,2,6,0, 294.314, 3
ref: mol2, SDF, SMILES, flexibase
3.09,7.09,-13.72,1,6,0, 294.314, 4
hi: mol2, SDF, SMILES, flexibase
2.69,7.85,-50.32,1,6,-1, 293.306, 2
12403945
 
#24

eMolecules: 2396751, 45940334
Molport: MolPort-001-030-050
Scientific Exchange (make on demand): X-058005
Alinda: IBS-L0061944
American Custom Chemicals Corp.: CHM0239735...25 total

ref: mol2, SDF, SMILES, flexibase
2.01,7.28,-12.55,1,4,0, 251.289, 2
mid: mol2, SDF, SMILES, flexibase
2.01,7.07,-15.15,1,4,0, 251.289, 2

Similar to: 37036442,
1050755
 
#25

eMolecules: 26455684
Molport: MolPort-002-356-013
AKOS: AKOS003613149
Labotest: LT00488401
Life Chemicals: F1430-0054...15 total

ref: mol2, SDF, SMILES, flexibase
6.38,13.67,-15.87,1,5,0, 423.303, 4
lo: mol2, SDF, SMILES, flexibase
6.38,14.1,-30.83,2,5,1, 424.311, 4
lo: mol2, SDF, SMILES, flexibase
6.38,13.37,-36.26,2,5,1, 424.311, 4
1050751
 
#26

eMolecules: 45802398
Molport: MolPort-002-356-019
AKOS: AKOS001024973
Life Chemicals: F1430-0070
Mcule: MCULE-1559088248...16 total

ref: mol2, SDF, SMILES, flexibase
4.95,12.98,-17.67,1,5,0, 402.885, 5
lo: mol2, SDF, SMILES, flexibase
4.95,12.17,-32.31,2,5,1, 403.893, 5
lo: mol2, SDF, SMILES, flexibase
4.95,13.27,-27.08,2,5,1, 403.893, 5
2687021
 
#27

eMolecules: 27055899
Molport: MolPort-007-646-162
AKOS: AKOS001829529
ChemDiv: C585-0321
Mcule: MCULE-7149394046...10 total

ref: mol2, SDF, SMILES, flexibase
5.12,-3.94,-24.22,0,7,0, 435.457, 4
8573412
 
#28

eMolecules: 26456489
Molport: MolPort-003-066-754
AKOS: AKOS002094496
ChemDiv: K227-0662
Life Chemicals: F1601-0292...13 total

ref: mol2, SDF, SMILES, flexibase
4.67,6.36,-37.43,3,6,1, 432.475, 4
lo: mol2, SDF, SMILES, flexibase
4.67,-1.77,-38.81,3,6,1, 432.475, 4

Similar to: 4467756,
9524454
 
#29

eMolecules: 26456495
Molport: MolPort-003-066-757
AKOS: AKOS002094802
ChemDiv: K227-0666
Life Chemicals: F1601-0295...13 total

ref: mol2, SDF, SMILES, flexibase
5.67,8.78,-29.97,3,6,1, 464.545, 4
lo: mol2, SDF, SMILES, flexibase
5.67,-2.14,-38.46,3,6,1, 464.545, 4
5125635
 
#30

eMolecules: 26456763
Molport: MolPort-003-067-781
AKOS: AKOS001572535
American Custom Chemicals Corp.: CHM0175907
ChemDiv: 1319-0010...14 total

ref: mol2, SDF, SMILES, flexibase
2.67,7.36,-43.54,2,7,1, 362.365, 3
12437690
 
#31

eMolecules: 4954133
Molport: MolPort-003-067-782
AKOS: AKOS001572417
American Custom Chemicals Corp.: HCH0156750
ChemDiv: 1319-0037...14 total

ref: mol2, SDF, SMILES, flexibase
3.85,8.38,-40.05,2,5,1, 404.215, 2

Similar to: 6580005,
2700526
 
#32

eMolecules: 9287151
AKOS: AKOS001686802
Innovapharm: STT-00153211
Mcule: MCULE-3432927102
Innovapharm Make-on-Demand: VT-00145080...16 total

ref: mol2, SDF, SMILES, flexibase
3.16,4.15,-19.61,1,7,0, 435.383, 5

Similar to: 36630212, 39891841, 39891843, 39891844, 39891845, ... 15 in total.
2689998
 
#33

eMolecules: 45802718
Molport: MolPort-003-067-777
Life Chemicals: F1602-0898
Mcule: MCULE-5050636573
ChemDB: 7714921...10 total

ref: mol2, SDF, SMILES, flexibase
3.63,4.69,-29.24,3,5,1, 309.345, 3
2700534
 
#34

AKOS: AKOS001686887
Innovapharm: STT-00110285
Innovapharm Make-on-Demand: VT-00145106
TimTec Make-on-Demand: ST50102775
ChemDB: 6762562...14 total

ref: mol2, SDF, SMILES, flexibase
3.10,3.77,-17.97,1,7,0, 446.282, 4

Similar to: 36630201, 39891837, 39891843, 39891844, 39891845, ... 14 in total.
12437686
 
#35

eMolecules: 45802720
Molport: MolPort-003-067-778
Life Chemicals: F1602-0899
Mcule: MCULE-2670283035
ChemDB: 7714923...10 total

ref: mol2, SDF, SMILES, flexibase
3.10,4.52,-36.63,3,6,1, 337.355, 4

Similar to: 178957, 191902,
12437688
 
#36

eMolecules: 4954129
Molport: MolPort-002-936-252
AKOS: AKOS001572483
American Custom Chemicals Corp.: HCH0265462
ChemDiv: 1319-0004...17 total

ref: mol2, SDF, SMILES, flexibase
3.78,8.71,-40.31,2,5,1, 375.326, 3

Similar to: 31904676,
4743993
 
#37

ChemDB: 5640735
PubChem: 397126
SMDC Life Kinase: 244483
SMDC Public: 244483
ref: mol2, SDF, SMILES, flexibase
3.81,1.66,-27.68,1,6,0, 404.344, 4
1515843
 
#38

eMolecules: 45793968
Molport: MolPort-003-011-223
Life Chemicals: F0190-0016
Mcule: MCULE-2576257838
ChemDB: 5640742...10 total

ref: mol2, SDF, SMILES, flexibase
5.03,10.13,-36.59,2,6,1, 396.426, 4
17824894
 
#39

AKOS: AKOS002304198
Innovapharm: STT-00282628
TimTec Make-on-Demand: ST50769617
ChEMBL12: CHEMBL1606475
ChEMBL19: CHEMBL1606475...16 total

ref: mol2, SDF, SMILES, flexibase
4.16,10.63,-17.96,1,6,0, 364.449, 6
lo: mol2, SDF, SMILES, flexibase
4.16,10.9,-25.68,2,6,1, 365.457, 6
lo: mol2, SDF, SMILES, flexibase
4.16,9.79,-31.65,2,6,1, 365.457, 6
18101037
 
#40

AKOS: AKOS002304198
Innovapharm: STT-00282628
TimTec Make-on-Demand: ST50769617
ChEMBL12: CHEMBL1606475
ChEMBL19: CHEMBL1606475...15 total

ref: mol2, SDF, SMILES, flexibase
4.16,10.63,-17.89,1,6,0, 364.449, 6
lo: mol2, SDF, SMILES, flexibase
4.16,10.9,-25.7,2,6,1, 365.457, 6
lo: mol2, SDF, SMILES, flexibase
4.16,9.79,-31.71,2,6,1, 365.457, 6
13892843
 
#41

eMolecules: 4929616
Molport: MolPort-002-942-203
AKOS: AKOS001572505
American Custom Chemicals Corp.: HCH0265463
ChemDiv: 1319-0005...17 total

ref: mol2, SDF, SMILES, flexibase
3.07,7.77,-39.16,2,5,1, 325.319, 2

Similar to: 6580005, 6580006,
16890519
 
#42

eMolecules: 45801330
Molport: MolPort-003-064-370
Life Chemicals: F1365-3072
Mcule: MCULE-7323467472
ChemDB: 6276719...10 total

ref: mol2, SDF, SMILES, flexibase
2.99,6.32,-16.68,1,6,0, 339.376, 3
2714337
 
#43

eMolecules: 45803547
Molport: MolPort-003-075-705
Life Chemicals: F1814-0590
Mcule: MCULE-1382921404
ChemDB: 7723492...10 total

ref: mol2, SDF, SMILES, flexibase
5.19,10.84,-17.83,0,5,0, 364.426, 1

Similar to: 6614217, 39721216,
16890520
 
#44

eMolecules: 45801332
Molport: MolPort-003-064-371
Life Chemicals: F1365-3075
Mcule: MCULE-9799239393
ChemDB: 6276722...10 total

ref: mol2, SDF, SMILES, flexibase
3.90,7.71,-19.22,1,6,0, 406.492, 3
2714347
 
#45

eMolecules: 45803553
Molport: MolPort-003-075-708
Life Chemicals: F1814-0593
Mcule: MCULE-4489137339
ChemDB: 7723495...10 total

ref: mol2, SDF, SMILES, flexibase
5.42,10.57,-17.86,0,5,0, 384.844, 1

Similar to: 39721212,
6305361
 
#46

eMolecules: 45801336
Molport: MolPort-003-064-374
Life Chemicals: F1365-3078
Mcule: MCULE-5829584664
ChemDB: 6276725...10 total

ref: mol2, SDF, SMILES, flexibase
4.44,7.92,-13.06,1,5,0, 389.889, 3
9489635
 
#47

eMolecules: 45803593
Molport: MolPort-003-075-732
Life Chemicals: F1814-0697
Mcule: MCULE-1795520657
ChemDB: 7723519...10 total

ref: mol2, SDF, SMILES, flexibase
5.56,10.59,-20.65,0,7,0, 446.484, 3

Similar to: 39723161,
9726250
 
#48

eMolecules: 45801358
Molport: MolPort-003-064-385
Life Chemicals: F1365-3145
Mcule: MCULE-4767969774
ChemDB: 6276792...10 total

ref: mol2, SDF, SMILES, flexibase
4.77,9.45,-14.44,1,5,0, 475.311, 3
2714653
 
#49

eMolecules: 45803703
Molport: MolPort-003-075-804
Life Chemicals: F1814-1145
Mcule: MCULE-7202973014
ChEMBL19: CHEMBL1306772...11 total

ref: mol2, SDF, SMILES, flexibase
2.54,6.77,-18.72,0,6,0, 331.397, 2
17026738
 
#50

eMolecules: 45803727
Molport: MolPort-003-075-818
Life Chemicals: F1814-1236
Mcule: MCULE-1721974384
ChemDB: 7723599...11 total

ref: mol2, SDF, SMILES, flexibase
4.22,8.12,-13.81,0,6,0, 370.43, 2

Similar to: 17026740,
17026740
 
#51

eMolecules: 45803727
Molport: MolPort-003-075-818
Life Chemicals: F1814-1236
Mcule: MCULE-1721974384
ChemDB: 7723599...11 total

ref: mol2, SDF, SMILES, flexibase
4.22,8.12,-13.83,0,6,0, 370.43, 2

Similar to: 17026738,
17149401
 
#52

eMolecules: 45803897
Molport: MolPort-003-075-913
Life Chemicals: F1814-1687
Mcule: MCULE-3167843096
ChemDB: 7723690...10 total

ref: mol2, SDF, SMILES, flexibase
5.66,11.99,-17.56,0,5,0, 404.422, 1

Similar to: 6224060, 8956787,
9489646
 
#53

eMolecules: 45804071
Molport: MolPort-003-076-040
Life Chemicals: F1815-0726
Mcule: MCULE-9244645651
ChemDB: 7723809...10 total

ref: mol2, SDF, SMILES, flexibase
4.38,12.35,-24.04,0,6,0, 441.512, 4

Similar to: 12063055, 13055808, 13067210,
1508619
 
#54

ChemDB: 5613997
PubChem: 6990240, 45023701, 4269253
SMDC Life Kinase: 244017
SMDC Public: 244017
ref: mol2, SDF, SMILES, flexibase
3.01,5.3,-10.41,3,6,0, 337.379, 3
1508609
 
#55

ChemDB: 5613997
PubChem: 6990236, 45023701, 4269253
SMDC Life Kinase: 244017
SMDC Public: 244017
ref: mol2, SDF, SMILES, flexibase
3.01,5.18,-10.29,3,6,0, 337.379, 3
4031648
 
#56

eMolecules: 4928839
Molport: MolPort-003-009-404
AKOS: AKOS000298844
Life Chemicals: F0015-0002
Mcule: MCULE-3141044814...20 total

ref: mol2, SDF, SMILES, flexibase
5.57,7.81,-16.98,2,4,0, 380.856, 3
4031655
 
#57

eMolecules: 1269164
Molport: MolPort-001-945-180
AKOS: AKOS000298660
Asinex: BAS00735885
ChemBridge: 5753296...23 total

ref: mol2, SDF, SMILES, flexibase
5.29,7.8,-12.43,2,4,0, 360.438, 3
4513228
 
#58

eMolecules: 6170666
Molport: MolPort-003-718-155
AKOS: AKOS001485437
American Custom Chemicals Corp.: HCH0265495
ChemDiv: 1814-1983...12 total

ref: mol2, SDF, SMILES, flexibase
3.99,8.8,-38.78,2,5,1, 433.225, 2
193708
 
#59

eMolecules: 206911519
Molport: MolPort-003-010-405
AKOS: AKOS001602102
ChemDiv: 1488-1629
Mcule: MCULE-2078604076...12 total

ref: mol2, SDF, SMILES, flexibase
4.06,-0.46,-18.22,2,4,0, 332.281, 3
18283786
 
#60

AKOS: AKOS001656074
Mcule: MCULE-5990385963
TimTec: ST50985796
ChemDB: 5646853
ChemDiv (Depleted): 3740-0772...11 total

ref: mol2, SDF, SMILES, flexibase
4.81,9.25,-11.24,1,3,0, 332.79, 1
9354677
 
#61

eMolecules: 4929072
Molport: MolPort-003-010-514
Life Chemicals: F0147-0045
Mcule: MCULE-3173343047
ChemDB: 6177256...13 total

ref: mol2, SDF, SMILES, flexibase
7.14,11,-17.2,2,5,0, 438.508, 5
4031936
 
#62

AKOS: AKOS001019943
Mcule: MCULE-8325117488
UORSY: PB30370603
ChemDB: 5603912
Collaborative Drug Discovery: 1365578...9 total

ref: mol2, SDF, SMILES, flexibase
4.78,9.25,-15.86,1,5,0, 326.359, 4
6715028
 
#63

ChemDB: 6177119
Collaborative Drug Discovery: 1361186
SMDC Life Kinase: 244301
SMDC Public: 244301
ref: mol2, SDF, SMILES, flexibase
3.20,4.23,-11.53,1,5,0, 279.299, 2
5125640
 
#64

eMolecules: 6163739
Molport: MolPort-003-011-229
AKOS: AKOS001484754
ChemDiv: 1319-0034
Mcule: MCULE-1706030791...11 total

ref: mol2, SDF, SMILES, flexibase
3.42,0.13,-27.38,1,6,0, 410.227, 2
5165061
 
#65

eMolecules: 26993052
Molport: MolPort-007-550-183, MolPort-023-227-290
AKOS: AKOS001620142
ChemDiv: 1391-0640
Mcule: MCULE-1748299797...12 total

ref: mol2, SDF, SMILES, flexibase
4.23,0.97,-15.8,1,5,0, 374.371, 2

Similar to: 6580005, 6580006,
11617241
 
#66

eMolecules: 26439295
Molport: MolPort-003-011-230
AKOS: AKOS001572765
American Custom Chemicals Corp.: HCH0155741
ChemDiv: 1319-0036...14 total

ref: mol2, SDF, SMILES, flexibase
4.56,9.33,-41.45,2,5,1, 454.222, 3

Similar to: 31904676,
16890400
 
#67

eMolecules: 4929620
Molport: MolPort-003-011-232
AKOS: AKOS001572443
ChemDiv: 1319-0041
Life Chemicals: F0190-0194...13 total

ref: mol2, SDF, SMILES, flexibase
3.92,8.28,-28.95,1,6,0, 400.221, 2
9446075
 
#68

eMolecules: 4929622
Molport: MolPort-003-011-233
AKOS: AKOS001484764
ChemDiv: 1319-0044
Life Chemicals: F0190-0197...13 total

ref: mol2, SDF, SMILES, flexibase
5.04,1.4,-28.47,1,5,0, 443.208, 3

Similar to: 31904676,
195533
 
#69

eMolecules: 4929676
Molport: MolPort-003-011-606
AKOS: AKOS001485317
ChemDiv: 1711-1285
Life Chemicals: F0266-5854...14 total

ref: mol2, SDF, SMILES, flexibase
4.45,-2.77,-18.54,2,4,0, 333.174, 2

Similar to: 195536,
5125647
 
#70

ChemDB: 5619056
Life Chemicals (Depleted): F0190-0202
PubChem: 3638172
SMDC Life Kinase: 244484
SMDC Public: 244484...5 total

ref: mol2, SDF, SMILES, flexibase
4.97,0.64,-19.79,1,5,0, 365.392, 3
5125651
 
#71

eMolecules: 45793974
Molport: MolPort-003-011-236
AKOS: AKOS005737175
Life Chemicals: F0190-0206
Mcule: MCULE-9611680452...12 total

ref: mol2, SDF, SMILES, flexibase
5.38,0.03,-19.84,1,4,0, 358.372, 3
9354741
 
#72

eMolecules: 4929222
Molport: MolPort-003-010-800
Life Chemicals: F0161-0362
Mcule: MCULE-2764489361
ChemDB: 6177395...12 total

ref: mol2, SDF, SMILES, flexibase
5.72,6.99,-14.92,2,4,0, 431.336, 3
5175287
 
#73

eMolecules: 26439303
Molport: MolPort-003-011-238
AKOS: AKOS001610896
ChemDiv: 2188-1538
Life Chemicals: F0190-0247...12 total

ref: mol2, SDF, SMILES, flexibase
4.06,0.19,-16.5,1,5,0, 356.381, 2
9446156
 
#74

eMolecules: 45794171
Molport: MolPort-003-011-603
ChemDiv: 1319-0082
Life Chemicals: F0266-4048
Mcule: MCULE-4578005240...11 total

ref: mol2, SDF, SMILES, flexibase
5.76,11.39,-37.89,2,5,1, 445.296, 3
2475283
 
#75

eMolecules: 45794187
Molport: MolPort-003-011-644
AKOS: AKOS001458439
Life Chemicals: F0287-0036
Mcule: MCULE-3150556375...14 total

ref: mol2, SDF, SMILES, flexibase
5.76,12.74,-17.67,1,6,0, 418.884, 5
lo: mol2, SDF, SMILES, flexibase
5.76,13.04,-29.85,2,6,1, 419.892, 5
lo: mol2, SDF, SMILES, flexibase
5.76,12.48,-35.4,2,6,1, 419.892, 5
3209625
 
#76

eMolecules: 2943820
Molport: MolPort-003-012-867
AKOS: AKOS001031068
Life Chemicals: F0336-0026
Mcule: MCULE-2807710078...15 total

ref: mol2, SDF, SMILES, flexibase
6.85,11.6,-14.08,2,4,0, 436.536, 5

Similar to: 11617076,
5192441
 
#77

eMolecules: 26239270
Molport: MolPort-003-011-645
AKOS: AKOS001448867
ChemDiv: 2512-0746
Innovapharm: STT-00282638...19 total

ref: mol2, SDF, SMILES, flexibase
4.20,0.74,-17.65,1,6,0, 392.846, 5
18140246
 
#78

eMolecules: 26236458
Molport: MolPort-003-011-647
AKOS: AKOS001447950
ChemDiv: 2512-0754
Enamine: Z275238884...23 total

ref: mol2, SDF, SMILES, flexibase
2.94,6.88,-18.13,2,6,0, 356.813, 5
lo: mol2, SDF, SMILES, flexibase
2.94,7.19,-27.33,3,6,1, 357.821, 5

Similar to: 13750170,
38170078
 
#79

American Custom Chemicals Corp.: HCH0131528
Mcule: MCULE-4896045388
ChemDB: 4125153
PubChem: 5541232, 6807797
SMDC Life Kinase: 244999...8 total

ref: mol2, SDF, SMILES, flexibase
7.43,12.96,-14.22,1,5,0, 504.409, 2
mid: mol2, SDF, SMILES, flexibase
7.89,11.15,-51.55,0,5,-1, 503.401, 2
4030453
 
#80

eMolecules: 45794521
Molport: MolPort-003-013-233
American Custom Chemicals Corp.: HCH0155487
Life Chemicals: F0368-0057
Mcule: MCULE-7242501039...11 total

ref: mol2, SDF, SMILES, flexibase
5.28,8.12,-27.48,3,5,1, 405.305, 5
lo: mol2, SDF, SMILES, flexibase
5.28,8.26,-31.94,4,5,0, 406.313, 5
lo: mol2, SDF, SMILES, flexibase
5.28,7.8,-33.92,4,5,0, 406.313, 5
34236142
 
#81

American Custom Chemicals Corp.: NEW0073882
Mcule: MCULE-2282342373
ChemDB: 4125154
PubChem: 5541221, 6759717
SMDC Life Kinase: 245040...8 total

ref: mol2, SDF, SMILES, flexibase
6.81,12.38,-16.04,1,5,0, 425.513, 2
mid: mol2, SDF, SMILES, flexibase
7.27,10.58,-58.15,0,5,-1, 424.505, 2
2969897
 
#82

eMolecules: 2137719
Molport: MolPort-002-191-489
AKOS: AKOS002043778
ChemBridge: 6275482
Life Chemicals: F0359-0164...16 total

ref: mol2, SDF, SMILES, flexibase
6.70,9.05,-13.44,2,4,0, 436.945, 3
2723851
 
#83

eMolecules: 45795440
Molport: MolPort-003-031-778
Life Chemicals: F0600-0415
Mcule: MCULE-7751581184
ChemDB: 6188745...9 total

ref: mol2, SDF, SMILES, flexibase
3.98,5.65,-16.7,1,6,0, 382.47, 2
4902155
 
#84

eMolecules: 26443260
Molport: MolPort-003-034-538
Life Chemicals: F0620-1754
Mcule: MCULE-2734415596
ChemDB: 6250317...10 total

ref: mol2, SDF, SMILES, flexibase
4.24,10.37,-19.1,0,5,0, 397.525, 4

Similar to: 6332229, 7593356, 33580615, 33587805, 33669356, ... 29 in total.
5053858
 
#85

ChemDB: 7689953
PubChem: 45133884
SMDC Life Kinase: 250706
SMDC Public: 250706
ref: mol2, SDF, SMILES, flexibase
0.91,-6.44,-21.69,3,8,0, 386.433, 5
6454260
 
#86

eMolecules: 19449804
AKOS: AKOS000928119
Life Chemicals: F0700-0154
Mcule: MCULE-9183797214
ChemDB: 6189721...10 total

ref: mol2, SDF, SMILES, flexibase
2.15,-1.72,-23.93,1,6,0, 397.481, 4

Similar to: 44901763,
755264
 
#87

eMolecules: 4947202
Molport: MolPort-003-052-812
Life Chemicals: F0737-0221
Mcule: MCULE-6759037567
ChemDB: 6261502...10 total

ref: mol2, SDF, SMILES, flexibase
2.39,-0.77,-13.17,1,6,0, 349.371, 3
lo: mol2, SDF, SMILES, flexibase
3.31,-0.66,-44.63,2,6,1, 350.379, 2
17045165
 
#88

eMolecules: 45795922
Life Chemicals: F0708-0122
Mcule: MCULE-8210026588
Pharmeks: PHAR164439
ChemDB: 4827189...12 total

ref: mol2, SDF, SMILES, flexibase
2.19,6.51,-14.67,3,6,0, 355.419, 4

Similar to: 781523,
2475050
 
#89

eMolecules: 24305976
Molport: MolPort-007-558-936
AKOS: AKOS001632845
Life Chemicals: F0737-0235
Mcule: MCULE-9615312157...13 total

ref: mol2, SDF, SMILES, flexibase
3.24,-1.26,-18.25,1,5,0, 350.428, 2

Similar to: 4173985, 4224302, 6256533, 6472470, 6479328, ... 7 in total.
4063217
 
#90

Otava (Virtual): 1583884
BindingDB.org: 69253
ChEMBL12: CHEMBL1384279
ChEMBL19: CHEMBL1384279
ChemDB: 6261066...10 total

ref: mol2, SDF, SMILES, flexibase
2.30,6.11,-12.74,1,5,0, 311.366, 4
hi: mol2, SDF, SMILES, flexibase
2.37,4.46,-46.28,0,5,-1, 310.358, 4

Similar to: 6307232, 6322597, 6323560, 6969553, 6969624, ... 9 in total.
4174158
 
#91

eMolecules: 4947240
Molport: MolPort-003-052-862
Life Chemicals: F0737-0314
Mcule: MCULE-1909229875
BindingDB.org: 77072...15 total

ref: mol2, SDF, SMILES, flexibase
1.12,8.08,-20.26,1,7,0, 381.413, 4
ref: mol2, SDF, SMILES, flexibase
3.17,3.91,-15.23,3,7,0, 381.413, 4
hi: mol2, SDF, SMILES, flexibase
3.17,4.68,-59.89,2,7,-1, 380.405, 4

Similar to: 12053175,
3893187
 
#92

eMolecules: 4947064
Molport: MolPort-003-052-567
Life Chemicals: F0725-0023
Mcule: MCULE-9954661668
ChemDB: 6261298...11 total

ref: mol2, SDF, SMILES, flexibase
3.54,-2.6,-17.02,1,5,0, 355.444, 3

Similar to: 6479724,
4174000
 
#93

eMolecules: 4947084
Molport: MolPort-003-052-579
Life Chemicals: F0725-0044
Mcule: MCULE-4730413124
ChemDB: 6261316...11 total

ref: mol2, SDF, SMILES, flexibase
4.67,-2.51,-16.87,1,4,0, 375.478, 2

Similar to: 6256533, 6479328, 6479732,
4174005
 
#94

eMolecules: 4947102
Molport: MolPort-003-052-590
Life Chemicals: F0725-0059
Mcule: MCULE-7187794744
ChemDB: 6261331...10 total

ref: mol2, SDF, SMILES, flexibase
3.60,-2.36,-17.69,1,6,0, 393.449, 2
105814
 
#95

eMolecules: 2111639
Scientific Exchange (make on demand): X-090227
AKOS: AKOS001649213
ChemBridge: 5860361
Innovapharm: STT-00110091...18 total

ref: mol2, SDF, SMILES, flexibase
5.98,-0.01,-7.67,1,2,0, 314.841, 3

Similar to: 6671329,
9404233
 
#96

eMolecules: 4947120
Molport: MolPort-003-052-603
Life Chemicals: F0725-0219
Mcule: MCULE-6368267409
ChemDB: 6261347...11 total

ref: mol2, SDF, SMILES, flexibase
4.81,-4.53,-20.39,1,6,0, 449.557, 4
4262834
 
#97

eMolecules: 5469474
Molport: MolPort-003-054-515
Life Chemicals: F0779-0071
Mcule: MCULE-4124731065
ChemDB: 6191771...9 total

ref: mol2, SDF, SMILES, flexibase
2.87,-5.75,-28.16,2,6,0, 405.526, 5
8683775
 
#98

eMolecules: 4947130
Molport: MolPort-003-052-616
Life Chemicals: F0725-0238
Mcule: MCULE-4101057735
BindingDB.org: 63239...14 total

ref: mol2, SDF, SMILES, flexibase
5.01,11.2,-15.91,1,6,0, 475.595, 5

Similar to: 9404238, 9404242, 9404243, 9404304, 33692507, ... 9 in total.
4176259
 
#99

eMolecules: 29273116
Molport: MolPort-003-054-554
Life Chemicals: F0779-0432
Mcule: MCULE-9177467999
ChemDB: 6262406...11 total

ref: mol2, SDF, SMILES, flexibase
5.93,-1.42,-12.76,1,3,0, 399.302, 2

Similar to: 6495597, 33796897,
2476108
 
#100

eMolecules: 4947146
Molport: MolPort-003-052-626
Life Chemicals: F0725-0259
Mcule: MCULE-8335190619
ChemDB: 6261381...11 total

ref: mol2, SDF, SMILES, flexibase
4.72,-3.44,-15.94,1,6,0, 479.558, 5

Similar to: 33761667,

Old detail retrieval took 1 seconds.

start 0 size 100

select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 573 ) limit 0,100

Smiles were