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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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13108861
 
#1

TCM Database @ Taiwan: 36203
BindingDB.org: 76566
Biocyc via PubChem: CPD-7131
ChEBI: CHEBI:66332
ChEMBL12: CHEMBL510279...17 total

ref: mol2, SDF, SMILES, flexibase
4.77,5.6,-10.57,3,5,0, 356.418, 7
hi: mol2, SDF, SMILES, flexibase
4.77,6.3,-42.14,2,5,-1, 355.41, 7
64512573
 
#2

AK Scientific: 6223AC
Anward: ANW-60649
Ark Pharm Building Blocks: AK-87708
BePharm Building Blocks: B219172
Chembo Pharma: KB-237849...18 total

ref: mol2, SDF, SMILES, flexibase
2.77,4.84,-8.95,1,4,0, 290.12, 1
15263825
 
#3

BindingDB.org: 50320385, 50320388
ChEMBL12: CHEMBL1083627, CHEMBL1082691
ChEMBL12 10uM: CHEMBL1082691, CHEMBL1083627
ChEMBL19: CHEMBL1083627, CHEMBL1082691
PubChem: 46871703...11 total

ref: mol2, SDF, SMILES, flexibase
5.43,12.14,-9.56,0,2,0, 335.491, 0
1606736
 
#4

FineTech: FT-0624746
Fluorochem: 024266
Georganics: GEO-01024
Labotest: LT00159442
Mcule: MCULE-9788293271...25 total

ref: mol2, SDF, SMILES, flexibase
4.03,10.7,-14.87,0,2,0, 320.574, 5

Similar to: 31308351,
3800793
 
#5

BindingDB.org: 50314847
ChEMBL12: CHEMBL1092729
ChEMBL12 10uM: CHEMBL1092729
ChEMBL19: CHEMBL1092729
PubChem: 452142...10 total

ref: mol2, SDF, SMILES, flexibase
-1.26,-4.03,-24.11,2,9,0, 293.283, 3

Similar to: 5840604, 5840608, 5840616, 5840622, 5847271, ... 47 in total.
3064516
 
#6

Aldrich CPR: BOG00039|ALDRICH
Alfa-Aesar: H51846
Sigma Aldrich (Building Blocks): BOG00039|ALDRICH
TimTec: ST45398866
BindingDB.org: 50299476...10 total

ref: mol2, SDF, SMILES, flexibase
4.98,0.24,-9.12,2,3,0, 323.417, 5
34800306
 
#7

Active BioPharma: 583
Molport BB: MolPort-003-983-768
Sigma Aldrich (Building Blocks): I6891|SIGMA, I7016|SIGMA
Focus Synthesis BB Make-on-Demand: FS002246
Acros Organics (Depleted): 32828...25 total

34800307
 
#8

Active BioPharma: 583
Molport BB: MolPort-003-983-768
Sigma Aldrich (Building Blocks): I7016|SIGMA, I6891|SIGMA
Acros Organics (Depleted): 32828
BindingDB.org: 50011239...24 total

1640999
 
#9

NCI Plated 2007: 2552
BindingDB.org: 33412
ChEMBL12: CHEMBL183852
ChEMBL12 10uM: CHEMBL183852
ChEMBL19: CHEMBL183852...9 total

ref: mol2, SDF, SMILES, flexibase
0.38,2.48,-12.16,2,5,0, 178.147, 0

Similar to: 33815806,
3626195
 
#10

Molport: MolPort-002-474-289
AK Scientific: 0637AC
Ark Pharm Building Blocks: AK120682
Chembo Pharma: KB-230940
Florida Heterocyclic Compounds: 2456...18 total

ref: mol2, SDF, SMILES, flexibase
0.37,3.94,-12,1,4,0, 177.159, 0
3824868
 
#11

AfroDb Natural Products: WA_0135
ChemMol: 30107836, 44006134
eMolecules: 509347
Scientific Exchange (make on demand): M-618764
TCM Database @ Taiwan: tcm03_002707...99 total

ref: mol2, SDF, SMILES, flexibase
3.01,1.74,-10.81,3,5,0, 270.24, 0
hi: mol2, SDF, SMILES, flexibase
3.01,2.52,-45.75,2,5,-1, 269.232, 0

Similar to: 3918875, 4098655, 4098705, 38228769, 38494952, ... 7 in total.
3873418
 
#12

BioSynth: W-203030
Cayman Chemical: 10010302
J&K Chemical: A01447777
Sigma Aldrich (Building Blocks): D1916|SIGMA
BindingDB.org: 11324...21 total

ref: mol2, SDF, SMILES, flexibase
1.60,-1.21,-10.86,3,6,0, 319.144, 2
lo: mol2, SDF, SMILES, flexibase
1.60,-0.73,-37.42,4,6,1, 320.152, 2

Similar to: 5893037, 8584450, 16943508, 26500109, 32138403, ... 10 in total.
2528524
 
#13

Element Store BB: b2star-577779-57-8
Sigma Aldrich (Building Blocks): T6951|SIGMA
Toronto Research Chemicals: T291150
Tractus: TRA0071094
BindingDB.org: 50156669...14 total

ref: mol2, SDF, SMILES, flexibase
4.43,6.37,-7.11,1,2,0, 433.723, 0
409280
 
#14

ChemMol: 1033624, 83600133, 44003340, 1201162, 1032321, 1033911, 30110251, 97806707, 98001188
eMolecules: 495114
Acros Organics: 24195
Alfa-Aesar: A18744
Anward: ANW-26132...66 total

ref: mol2, SDF, SMILES, flexibase
1.97,1.78,-4.16,1,1,0, 130.093, 0
3815419
 
#15

Cayman Chemical: 13019
Sigma Aldrich (Building Blocks): H3131|SIGMA
Tetrahedron Building Blocks: TS35155
Toronto Research Chemicals: H941892, H941890
BindingDB.org: 50262140...39 total

ref: mol2, SDF, SMILES, flexibase
2.94,2.72,-7.57,3,3,0, 288.387, 0

Similar to: 4546563, 25757123, 31484486, 31484488, 31484491, ... 9 in total.
40875356
 
#16

BindingDB.org: 50262039
ChEMBL12: CHEMBL468589
ChEMBL12 10uM: CHEMBL468589
ChEMBL19: CHEMBL468589
PubChem: 44577786...6 total

ref: mol2, SDF, SMILES, flexibase
2.82,3.3,-5.27,3,3,0, 244.319, 2
mid: mol2, SDF, SMILES, flexibase
2.82,3.84,-46.92,3,3,-1, 243.311, 2
lo: mol2, SDF, SMILES, flexibase
2.82,3.64,-31.5,4,3,1, 245.327, 2
340411
 
#17

Molport: MolPort-003-809-367
Aldrich CPR: CDS000152|ALDRICH
Anward: ANW-33536
Ark Pharm Building Blocks: AK-65044
Chembo Pharma: KB-164791...23 total

ref: mol2, SDF, SMILES, flexibase
2.85,-1.32,-9.83,2,3,0, 214.22, 2
14775883
 
#18

ChemMol: 44028396
ChEMBL12: CHEMBL497717
ChEMBL19: CHEMBL497717
Individual Suppliers: ZINC14775883
PubChem: 11999967...6 total

ref: mol2, SDF, SMILES, flexibase
3.27,6.05,-9.03,0,4,0, 256.257, 3
13393233
 
#19

BindingDB.org: 50250398
ChEMBL12: CHEMBL465767
ChEMBL19: CHEMBL465767
PubChem: 636664
TTD via PubChem: DNC014842...5 total

ref: mol2, SDF, SMILES, flexibase
3.21,3.45,-17.26,4,6,0, 343.342, 2
34472955
 
#20

ChEMBL12: CHEMBL524872
ChEMBL19: CHEMBL524872
PubChem: 57543809, 11323459, 57543807
SureChEMBL: SCHEMBL1619074
TTD via PubChem: DNC014838...7 total

ref: mol2, SDF, SMILES, flexibase
-1.21,-1.08,-17.16,2,7,0, 280.28, 3

Similar to: 21987290,
4098644
 
#21

ChemMol: 30107785, 44006114
eMolecules: 504178
Molport: MolPort-003-931-716
TCM Database @ Taiwan: 33062, tcm03_000326, 26496
APIChem: AC-020...87 total

ref: mol2, SDF, SMILES, flexibase
2.42,1.23,-12.42,3,5,0, 270.24, 1

Similar to: 6117135, 34547766,
12504453
 
#22

BioSynth: W-200999
BindingDB.org: 36389
ChEMBL12: CHEMBL526330
ChEMBL12 10uM: CHEMBL526330
ChEMBL19: CHEMBL526330...12 total

ref: mol2, SDF, SMILES, flexibase
-1.95,-10.59,-7.8,5,5,0, 175.184, 0

Similar to: 34380670, 34478961, 34586741, 34586742, 38241339, ... 19 in total.
3130488
 
#23

BindingDB.org: 50274898
ChEMBL12: CHEMBL503251
ChEMBL12 10uM: CHEMBL503251
ChEMBL19: CHEMBL503251
PubChem: 44589165...6 total

ref: mol2, SDF, SMILES, flexibase
1.67,-2.4,-6.84,1,2,0, 187.289, 2
1088586
 
#24

eMolecules: 1574636
AKOS: AKOS001038446
IBScreen: STOCK1S-60417
Labotest: LT00254044
Mcule: MCULE-1371378069...26 total

ref: mol2, SDF, SMILES, flexibase
1.83,5.13,-8.07,1,2,0, 221.306, 1

Similar to: 1304776, 12407774,
2011298
 
#25

AK Scientific: H178
Chembo Pharma: KB-226636
Tetrahedron Building Blocks: TS24044
Tractus: TRA0049168
AKOS BB (make-on-demand): AKOS015888329...31 total

ref: mol2, SDF, SMILES, flexibase
2.14,5.26,-9.19,1,3,0, 225.313, 5

Similar to: 39647359,
136138
 
#26

ChemMol: 30101804, 44002221, 1034185
eMolecules: 483860
Acorn PharmaTech: ACN-S002214
Acros Organics: 12136
AK Scientific: I956...144 total

ref: mol2, SDF, SMILES, flexibase
3.37,4.46,-8.1,1,3,0, 228.247, 3
hi: mol2, SDF, SMILES, flexibase
3.37,5.24,-49.88,0,3,-1, 227.239, 3

Similar to: 1722138, 5733270, 5849525, 34330516, ... 5 in total.
1021
 
#27

ChemMol: 30105816
eMolecules: 479707
TCM Database @ Taiwan: tcm03_000853, 25684
Acros Organics: 10586
AKOS: AKOS003495939...161 total

ref: mol2, SDF, SMILES, flexibase
3.70,9.11,-6.44,0,2,0, 212.248, 4
267589
 
#28

TimTec: ST51007753
BindingDB.org: 24409
ChEMBL12: CHEMBL487518
ChEMBL12 10uM: CHEMBL487518
ChEMBL19: CHEMBL487518...11 total

ref: mol2, SDF, SMILES, flexibase
3.29,-1.41,-12.99,2,6,0, 291.314, 2
34050117
 
#29

ChEMBL12: CHEMBL447917
ChEMBL19: CHEMBL447917
PubChem: 9964593
TTD via PubChem: DNC014805
ref: mol2, SDF, SMILES, flexibase
2.00,3.31,-6.43,0,3,0, 227.329, 2
lo: mol2, SDF, SMILES, flexibase
2.00,5.55,-40.41,1,3,1, 228.337, 2
4096261
 
#30

Molport: MolPort-006-124-300
American Custom Chemicals Corp.: PEP0003479
Bachem: H-4915
BioSynth: W-107333
Bosche Scientific: P6419...60 total

ref: mol2, SDF, SMILES, flexibase
-2.03,0.18,-23.59,5,10,0, 362.39, 6
mid: mol2, SDF, SMILES, flexibase
-2.03,0.01,-48.98,6,10,1, 363.398, 6
mid: mol2, SDF, SMILES, flexibase
-1.91,-8.71,-54.13,6,10,1, 363.398, 6
mid: mol2, SDF, SMILES, flexibase
-1.91,-10.03,-22.33,5,10,0, 362.39, 6
mid: mol2, SDF, SMILES, flexibase
-1.91,-9.27,-22.9,5,10,0, 362.39, 6
mid: mol2, SDF, SMILES, flexibase
-1.91,-8.91,-58.35,6,10,1, 363.398, 6
mid: mol2, SDF, SMILES, flexibase
-2.03,-0.51,-25.71,5,10,0, 362.39, 6
mid: mol2, SDF, SMILES, flexibase
-2.03,0.02,-48.79,6,10,1, 363.398, 6

Similar to: 4654627, 5762965, 5762966, 5762968, 5762970, ... 18 in total.
3995861
 
#31

Acros Organics: 13121
American Custom Chemicals Corp.: CHM0031808
BioSynth: Q-100267
BOC Sciences BB: 21416-53-5
Indofine Natural Products: P-150...67 total

ref: mol2, SDF, SMILES, flexibase
-2.23,2.63,-18.59,2,7,0, 310.302, 1

Similar to: 4963506, 7997513, 7999161, 14655816, 14655819, ... 15 in total.
406989
 
#32

ChemMol: 1033811, 30100026, 1201184, 98000249, 1032221, 97800033, 44000028, 96707530
eMolecules: 487643
Acorn PharmaTech: ACN-S003481
Acros Organics: 30661
Alfa-Aesar: A15177...73 total

ref: mol2, SDF, SMILES, flexibase
1.71,1.77,-3.35,1,1,0, 130.093, 0
28897193
 
#33

BindingDB.org: 50201214
ChEMBL12: CHEMBL245339
ChEMBL12 10uM: CHEMBL245339
ChEMBL19: CHEMBL245339
PubChem: 21881943...8 total

ref: mol2, SDF, SMILES, flexibase
3.46,9.06,-32.4,2,7,0, 433.508, 6
hi: mol2, SDF, SMILES, flexibase
3.46,10.31,-74.11,1,7,-1, 432.5, 6
lo: mol2, SDF, SMILES, flexibase
3.46,9.44,-53.04,3,7,1, 434.516, 6

Similar to: 34392055, 34392056, 34393305, 34393306, 38413129, ... 20 in total.
2146706
 
#34

AK Scientific: 5104AB
Aldrich CPR: S659525|ALDRICH
Alinda Building Blocks: ALBB-026584
Anward: ANW-29026
Ark Pharm Building Blocks: AK109126...28 total

ref: mol2, SDF, SMILES, flexibase
1.59,-1.25,-8.6,4,4,0, 330.001, 1

Similar to: 37138061,
13520146
 
#35

BindingDB.org: 11607
ChEMBL12: CHEMBL69813
ChEMBL12 10uM: CHEMBL69813
ChEMBL19: CHEMBL69813
PubChem: 10903168...6 total

ref: mol2, SDF, SMILES, flexibase
1.22,-1.39,-8.72,4,4,0, 316.095, 1
28645580
 
#36

eMolecules: 10883719
Molport: MolPort-001-742-598
AnalytiCon Discovery NP: NP-010710
BindingDB.org: 50211775
ChEMBL12: CHEMBL388140...14 total

ref: mol2, SDF, SMILES, flexibase
4.11,5.16,-1.81,1,1,0, 222.372, 1

Similar to: 34569725,
342068
 
#37

eMolecules: 2159373
Molport: MolPort-002-208-677
Scientific Exchange (make on demand): M-064695
AKOS: AKOS000202277
ChemBridge: 6574468...24 total

ref: mol2, SDF, SMILES, flexibase
5.20,0.35,-9.19,1,2,0, 340.22, 2
35080017
 
#38

BindingDB.org: 50200997
ChEMBL12: CHEMBL219367
ChEMBL12 10uM: CHEMBL219367
ChEMBL19: CHEMBL219367
PubChem: 16098874...6 total

ref: mol2, SDF, SMILES, flexibase
6.65,15.39,-15.98,1,5,0, 482.624, 12

Similar to: 34318184, 34318185, 34318186, 34318187, ... 4 in total.
35080019
 
#39

BindingDB.org: 50200994
ChEMBL12: CHEMBL219905
ChEMBL12 10uM: CHEMBL219905
ChEMBL19: CHEMBL219905
PubChem: 16098875...6 total

ref: mol2, SDF, SMILES, flexibase
4.39,12.42,-19.65,1,6,0, 456.542, 10
3861550
 
#40

ChemMol: 44024390, 30105143
Molport: MolPort-023-220-261
TCM Database @ Taiwan: tcm03_000441
Acros Organics: 20419
AK Scientific: H126...95 total

ref: mol2, SDF, SMILES, flexibase
3.43,6.9,-6.34,1,2,0, 290.447, 0
3875364
 
#41

Molport: MolPort-023-220-261
TCM Database @ Taiwan: 39086
AK Scientific: H126
American Custom Chemicals Corp.: API0002654, SHG0000904
BePharm Building Blocks: B114333...66 total

ref: mol2, SDF, SMILES, flexibase
3.43,6.62,-6.45,1,2,0, 290.447, 0
1544687
 
#42

Bachem: N-1855
Tractus: TRA0036209
BindingDB.org: 50114340, 50124011
ChEMBL12: CHEMBL288365, CHEMBL352989
ChEMBL12 10uM: CHEMBL288365...14 total

ref: mol2, SDF, SMILES, flexibase
2.85,4.53,-14.01,2,6,0, 372.462, 9

Similar to: 3944366, 13493521, 13493522, 13493523, 34650237, ... 5 in total.
13478173
 
#43

BindingDB.org: 50189828
ChEMBL12: CHEMBL207440
ChEMBL12 10uM: CHEMBL207440
ChEMBL19: CHEMBL207440
PubChem: 23062313...8 total

ref: mol2, SDF, SMILES, flexibase
1.54,4.34,-12.97,4,6,0, 351.472, 8

Similar to: 34374248, 34374250, 34374252, 34374254, ... 5 in total.
3988822
 
#44

BindingDB.org: 50189828
ChEMBL12: CHEMBL207440
ChEMBL12 10uM: CHEMBL207440
ChEMBL19: CHEMBL207440
PubChem: 9798553...7 total

ref: mol2, SDF, SMILES, flexibase
1.54,-5.64,-10.72,4,6,0, 351.472, 8

Similar to: 13478173, 34374248, 34374250, 34374252, 34374254, ... 5 in total.
3938463
 
#45

BindingDB.org: 50175772
ChEMBL12: CHEMBL382183
ChEMBL12 10uM: CHEMBL382183
ChEMBL19: CHEMBL382183
PubChem: 9893095...7 total

ref: mol2, SDF, SMILES, flexibase
6.45,0.62,-10.2,2,7,0, 526.681, 9
lo: mol2, SDF, SMILES, flexibase
6.45,0.74,-42.45,3,7,1, 527.689, 9

Similar to: 34038900, 34569573, 38288856, 39351468, ... 4 in total.
28564770
 
#46

BindingDB.org: 50174837
ChEMBL12: CHEMBL199829
ChEMBL12 10uM: CHEMBL199829
ChEMBL19: CHEMBL199829
PubChem: 11668680...8 total

ref: mol2, SDF, SMILES, flexibase
4.06,4.83,-18.85,3,6,0, 409.463, 6
mid: mol2, SDF, SMILES, flexibase
4.06,4.97,-53.33,2,6,-1, 408.455, 6

Similar to: 39033213, 16438908, 16438923,
297726
 
#47

eMolecules: 1558353
Molport: MolPort-002-144-464
AKOS: AKOS000100686
Aldrich CPR: PH000275|ALDRICH
Anward: ANW-58021...29 total

ref: mol2, SDF, SMILES, flexibase
3.44,1.51,-6.94,1,2,0, 206.285, 3

Similar to: 5688560, 5765155, 34519974, 39233971, ... 4 in total.
13779581
 
#48

BindingDB.org: 50064436
ChEMBL12: CHEMBL55136
ChEMBL12 10uM: CHEMBL55136
ChEMBL19: CHEMBL55136
PubChem: 10727719...6 total

ref: mol2, SDF, SMILES, flexibase
3.76,6.07,-3.97,1,2,0, 221.344, 3

Similar to: 36459364,
8678
 
#49

Chembo Pharma: KB-82899
Apollo Scientific (Depleted): OR54368
BindingDB.org: 50064424
ChEMBL12: CHEMBL53267
ChEMBL12 10uM: CHEMBL53267...11 total

ref: mol2, SDF, SMILES, flexibase
4.74,0.25,-2.45,1,1,0, 304.171, 2
13779577
 
#50

BindingDB.org: 50064417
ChEMBL12: CHEMBL54497
ChEMBL12 10uM: CHEMBL54497
ChEMBL19: CHEMBL54497
PubChem: 10422572...7 total

ref: mol2, SDF, SMILES, flexibase
4.46,6.3,-2.64,1,1,0, 257.171, 2

Similar to: 32148118, 32155120, 32155124, 32249880, ... 4 in total.
4081122
 
#51

Molport: MolPort-002-525-549
American Custom Chemicals Corp.: API0010033
IBScreen NP: STOCK1N-51728
Prestwick Chemical: Prestw-1002, 1002
Sigma Aldrich (Building Blocks): P5052|SIGMA...48 total

ref: mol2, SDF, SMILES, flexibase
3.07,7.55,-8.46,1,3,0, 332.484, 1

Similar to: 3830196, 3830197, 3830198, 3830199, 3850224, ... 9 in total.
13779584
 
#52

BindingDB.org: 50064423
ChEMBL12: CHEMBL56587
ChEMBL12 10uM: CHEMBL56587
ChEMBL19: CHEMBL56587
PubChem: 596091...7 total

ref: mol2, SDF, SMILES, flexibase
3.47,9.5,-7.33,0,2,0, 220.312, 4

Similar to: 32220766, 32220767, 32220768, 32264999, 34343583, ... 8 in total.
13779585
 
#53

BindingDB.org: 50064421
ChEMBL12: CHEMBL55916
ChEMBL19: CHEMBL55916
PubChem: 10779272
SureChEMBL: SCHEMBL8380667...6 total

ref: mol2, SDF, SMILES, flexibase
5.79,12.45,-8.18,0,2,0, 282.383, 5

Similar to: 34383825,
3798924
 
#54

BindingDB.org: 50290400
ChEMBL DrugStore: CHEMBL300072
ChEMBL12: CHEMBL300072
ChEMBL12 10uM: CHEMBL300072
ChEMBL19: CHEMBL300072...18 total

ref: mol2, SDF, SMILES, flexibase
3.45,8.84,-19.74,2,6,0, 438.462, 3

Similar to: 34356132, 34356134, 34356136, 34356138, 34356172, ... 9 in total.
13779576
 
#55

BindingDB.org: 50064419
ChEMBL12: CHEMBL292402
ChEMBL12 10uM: CHEMBL292402
ChEMBL19: CHEMBL292402
Debye Scientific BB (Depleted): DA-01221...8 total

ref: mol2, SDF, SMILES, flexibase
4.33,6.2,-2.66,1,1,0, 212.72, 2

Similar to: 32149319, 32192470, 33756344, 33756345, 34426894, ... 6 in total.
13742125
 
#56

BindingDB.org: 50031910
ChEMBL12: CHEMBL90342
ChEMBL12 10uM: CHEMBL90342
ChEMBL19: CHEMBL90342
PubChem: 10039485...7 total

ref: mol2, SDF, SMILES, flexibase
4.62,10.52,-5.16,0,1,0, 277.458, 2

Similar to: 38257412, 39244518,
26649410
 
#57

BindingDB.org: 50031904
ChEMBL12: CHEMBL90399
ChEMBL12 10uM: CHEMBL90399
ChEMBL19: CHEMBL90399
PubChem: 22421021...8 total

ref: mol2, SDF, SMILES, flexibase
4.63,11.34,-5.07,0,0,0, 276.47, 2
13742127
 
#58

BindingDB.org: 50031905
ChEMBL12: CHEMBL315953
ChEMBL12 10uM: CHEMBL315953
ChEMBL19: CHEMBL315953
PubChem: 10015993...7 total

ref: mol2, SDF, SMILES, flexibase
5.03,9.85,-2.18,0,0,0, 270.438, 2
6483512
 
#59

TCM Database @ Taiwan: 27526, tcm03_008949
Element Store BB: b2star-524-12-9
Sigma Aldrich (Building Blocks): W4016|SIGMA
AKOS BB (make-on-demand): AKOS015897173
BindingDB.org: 50096619...30 total

ref: mol2, SDF, SMILES, flexibase
2.30,0.77,-15.07,3,7,0, 314.249, 1
hi: mol2, SDF, SMILES, flexibase
2.30,1.63,-43.84,2,7,-1, 313.241, 1

Similar to: 32266790,
13491193
 
#60

BindingDB.org: 50118389
ChEMBL12: CHEMBL131928
ChEMBL12 10uM: CHEMBL131928
ChEMBL19: CHEMBL131928
PubChem: 11012278...6 total

ref: mol2, SDF, SMILES, flexibase
5.63,10.76,-10.19,0,3,0, 308.377, 5
2573996
 
#61

BindingDB.org: 50118371
BOC Sciences BB (Depleted): 288401-05-8
ChEMBL12: CHEMBL133949
ChEMBL12 10uM: CHEMBL133949
ChEMBL19: CHEMBL133949...7 total

ref: mol2, SDF, SMILES, flexibase
5.23,10.21,-9.56,0,2,0, 264.324, 2

Similar to: 33796583, 34401183, 34645762, 38539154, 38539156, ... 9 in total.
11616881
 
#62

Vesino Industrial Co Ltd: VZ21208
BindingDB.org: 50017320
ChEMBL12: CHEMBL444045
ChEMBL12 10uM: CHEMBL444045
ChEMBL19: CHEMBL444045...11 total

ref: mol2, SDF, SMILES, flexibase
2.88,0.41,-15.67,0,6,0, 418.291, 3

Similar to: 597316,
597316
 
#63

ChemMol: 30114352, 51504852, 97900682
Molport: MolPort-020-173-785
Active BioPharma: 1465
AKOS: AKOS015896668
American Custom Chemicals Corp.: API0001756...42 total

ref: mol2, SDF, SMILES, flexibase
2.88,10.5,-15.44,0,6,0, 418.291, 3

Similar to: 11616881,
58123
 
#64

ChemMol: 96700437
eMolecules: 506337
AKOS: AKOS002387497
BOC Sciences BB: 29976-75-8
Chembo Pharma: KB-249117...24 total

ref: mol2, SDF, SMILES, flexibase
4.16,8.96,-9.99,0,2,0, 236.27, 1

Similar to: 187374, 6385480, 33796582, 33796583, 38247479, ... 6 in total.
13491185
 
#65

BindingDB.org: 50118382
ChEMBL12: CHEMBL134539
ChEMBL12 10uM: CHEMBL134539
ChEMBL19: CHEMBL134539
PubChem: 10858340...6 total

ref: mol2, SDF, SMILES, flexibase
5.02,10.5,-9.77,0,2,0, 264.324, 3

Similar to: 34645762, 39222655,
1933195
 
#66

Aldrich CPR: CDS007119|ALDRICH
Indofine: 22-359
Sigma Aldrich (Building Blocks): CDS007119|ALDRICH
Synblock: MB03835
TimTec: ST45401543...13 total

ref: mol2, SDF, SMILES, flexibase
4.19,2.42,-10.66,0,3,0, 266.296, 2

Similar to: 1961543, 34041893, 39222686,
13491190
 
#67

Chembo Pharma: KB-191927
Chemstep: 75533
BindingDB.org: 50118383
ChEMBL12: CHEMBL132422
ChEMBL12 10uM: CHEMBL132422...8 total

ref: mol2, SDF, SMILES, flexibase
3.24,6.84,-11.4,2,3,0, 251.285, 1

Similar to: 39119523,
13491191
 
#68

BindingDB.org: 50118407
ChEMBL12: CHEMBL134408
ChEMBL12 10uM: CHEMBL134408
ChEMBL19: CHEMBL134408
PubChem: 11032345...6 total

ref: mol2, SDF, SMILES, flexibase
3.89,6.64,-12.11,1,3,0, 252.269, 1

Similar to: 39119549, 39222659, 1961541,
521727
 
#69

eMolecules: 4538481
AKOS: AKOS002182005
BioBlocks: A4469/0191102
Chemical Block: A4469/0191102
IBScreen: STOCK3S-86125...19 total

ref: mol2, SDF, SMILES, flexibase
4.17,2.64,-11.94,0,3,0, 266.296, 2

Similar to: 34346685, 39222653, 39222665, 39222667, 39222669, ... 10 in total.
13491192
 
#70

Aldrich CPR: CDS006874|ALDRICH
Alfa-Aesar: H30624
Indofine: 22-363
Sigma Aldrich (Building Blocks): CDS006874|ALDRICH
TimTec: ST45300347...13 total

ref: mol2, SDF, SMILES, flexibase
3.66,6.1,-11.06,1,3,0, 252.269, 1

Similar to: 39222685,
13491216
 
#71

BindingDB.org: 50118390
ChEMBL12: CHEMBL337443
ChEMBL12 10uM: CHEMBL337443
ChEMBL19: CHEMBL337443
PubChem: 10988288...6 total

ref: mol2, SDF, SMILES, flexibase
3.09,7.19,-11.13,0,3,0, 237.258, 1
lo: mol2, SDF, SMILES, flexibase
3.09,7.46,-44.99,1,3,1, 238.266, 1
265292
 
#72

Molport: MolPort-001-955-842
AKOS: AKOS000603553
Asinex: BAS01121887
TimTec: ST51176843
BindingDB.org: 50118406...11 total

ref: mol2, SDF, SMILES, flexibase
4.95,1.65,-10.08,0,2,0, 315.166, 1

Similar to: 34605636,
13491189
 
#73

Chembo Pharma: KB-191922
Chemstep: 75534
BindingDB.org: 50118398
ChEMBL12: CHEMBL132423
ChEMBL12 10uM: CHEMBL132423...8 total

ref: mol2, SDF, SMILES, flexibase
3.21,6.83,-10.39,2,3,0, 251.285, 1

Similar to: 36143096, 36143098, 36143100, 36143101, 36143102, ... 51 in total.
13491188
 
#74

BindingDB.org: 50118374
ChEMBL12: CHEMBL132035
ChEMBL12 10uM: CHEMBL132035
ChEMBL19: CHEMBL132035
PubChem: 11107795...6 total

ref: mol2, SDF, SMILES, flexibase
3.60,7.14,-10.19,2,3,0, 251.285, 1
2573995
 
#75

BindingDB.org: 50118381
ChEMBL12: CHEMBL134732
ChEMBL12 10uM: CHEMBL134732
ChEMBL19: CHEMBL134732
PubChem: 10999458...6 total

ref: mol2, SDF, SMILES, flexibase
4.63,9.72,-9.83,0,2,0, 250.297, 2

Similar to: 6385480, 33796582, 33796583, 34459549, 34645762, ... 8 in total.
265995
 
#76

eMolecules: 1310024
AKOS: AKOS000603226
Asinex: BAS01121723
IBScreen NP: STOCK1N-45047
Innovapharm: STT-00071978...18 total

ref: mol2, SDF, SMILES, flexibase
4.61,2.73,-9.87,0,2,0, 250.297, 1

Similar to: 6385480, 33796582, 33796583, 34401111, 38247479, ... 6 in total.
9043
 
#77

BindingDB.org: 50103203
ChEMBL12: CHEMBL287508
ChEMBL12 10uM: CHEMBL287508
ChEMBL19: CHEMBL287508
Collaborative Drug Discovery: 1391177...8 total

ref: mol2, SDF, SMILES, flexibase
3.10,-0.32,-12.84,1,4,0, 297.335, 2

Similar to: 29242774,
6427
 
#78

ChemMol: 30100528, 97900317
Scientific Exchange (make on demand): M-981991
Active BioPharma: 621
AKOS: AKOS003367969
APIChem: AC-10561...197 total

ref: mol2, SDF, SMILES, flexibase
2.74,6.91,-8.26,0,3,0, 284.746, 1
lo: mol2, SDF, SMILES, flexibase
2.74,7.78,-30.37,1,3,1, 285.754, 1

Similar to: 32266158, 32266159, 32267505,
2569810
 
#79

ChemMol: 30116162, 97900660
Active BioPharma: 1426
AK Scientific: 8910AB
AKOS: AKOS005146049
Anward: ANW-72305...28 total

ref: mol2, SDF, SMILES, flexibase
4.95,0.79,-13.07,1,4,0, 283.327, 7

Similar to: 34028887, 34461098, 36451535,
3650451
 
#80

BindingDB.org: 50014566, 50112838
ChEMBL12: CHEMBL281874, CHEMBL287136
ChEMBL12 10uM: CHEMBL281874, CHEMBL287136
ChEMBL19: CHEMBL281874, CHEMBL287136
PubChem: 193218...14 total

ref: mol2, SDF, SMILES, flexibase
2.74,7.62,-14.32,1,3,0, 253.301, 5

Similar to: 13521126,
5640267
 
#81

TCM Database @ Taiwan: 28061
AK Scientific: W2790
Anward: ANW-53714
Ark Pharm Building Blocks: AK-88797
BePharm Building Blocks: B16606...30 total

ref: mol2, SDF, SMILES, flexibase
2.27,1.16,-15.04,3,7,0, 330.292, 3
hi: mol2, SDF, SMILES, flexibase
2.53,1.45,-45.8,2,7,-1, 329.284, 3

Similar to: 6483420, 34537770,
13474160
 
#82

eMolecules: 31215828
Molport: MolPort-015-162-531
BioBlocks: A4519/0193313
Chemical Block: A4519/0193313
Mcule: MCULE-7238289482...17 total

ref: mol2, SDF, SMILES, flexibase
2.36,4.04,-11.69,1,6,0, 318.325, 6
3871987
 
#83

eMolecules: 42688451
TCM Database @ Taiwan: tcm03_001288
AnalytiCon Discovery NP (Depleted): NP-010309
NCI Plated 2007: 106969
BindingDB.org: 50064891...18 total

ref: mol2, SDF, SMILES, flexibase
2.28,1.66,-15.02,3,8,0, 360.318, 4
hi: mol2, SDF, SMILES, flexibase
2.28,2.92,-62.02,2,8,-1, 359.31, 4
hi: mol2, SDF, SMILES, flexibase
1.83,2.25,-45.26,2,8,-1, 359.31, 4

Similar to: 6483405, 14436868, 3651278,
3941174
 
#84

BindingDB.org: 50106231, 50140765, 50099582
ChEMBL12: CHEMBL340910, CHEMBL298475
ChEMBL12 10uM: CHEMBL298475, CHEMBL340910
ChEMBL19: CHEMBL340910, CHEMBL298475
PubChem: 44275596...16 total

ref: mol2, SDF, SMILES, flexibase
2.83,-2.87,-17.04,1,6,0, 411.442, 7

Similar to: 13864741, 28761449, 2007054, 3941171, ... 4 in total.
598089
 
#85

AK Scientific: X7522
Selleck Chemicals: S1165
Sigma Aldrich (Building Blocks): SML0131|SIGMA
BindingDB.org: 50101086
Capot Chemical (Depleted): 000037...27 total

ref: mol2, SDF, SMILES, flexibase
3.33,3.28,-12.76,3,7,0, 371.418, 6
hi: mol2, SDF, SMILES, flexibase
3.33,3.22,-44.02,2,7,-1, 370.41, 6

Similar to: 26567631, 34526710, 34526712, 34526714, 34526719, ... 39 in total.
13607898
 
#86

BindingDB.org: 50095326
ChEMBL12: CHEMBL356370
ChEMBL19: CHEMBL356370
PubChem: 44367275
TTD via PubChem: DNC014657...5 total

ref: mol2, SDF, SMILES, flexibase
2.66,3.58,-9.83,1,6,0, 306.314, 6

Similar to: 31302515, 31308852, 32264853, 34519505, 34601484, ... 6 in total.
26577015
 
#87

BindingDB.org: 50283371
ChEMBL12: CHEMBL87114
ChEMBL12 10uM: CHEMBL87114
ChEMBL19: CHEMBL87114
PubChem: 49825499...8 total

ref: mol2, SDF, SMILES, flexibase
3.01,7.98,-10.25,2,4,0, 279.343, 0
26577016
 
#88

BindingDB.org: 50283371
ChEMBL12: CHEMBL87114
ChEMBL12 10uM: CHEMBL87114
ChEMBL19: CHEMBL87114
PubChem: 49825499...8 total

ref: mol2, SDF, SMILES, flexibase
3.01,7.8,-10.23,2,4,0, 279.343, 0
5503957
 
#89

BindingDB.org: 50059961
ChEMBL12: CHEMBL49827
ChEMBL19: CHEMBL49827
ChemDB: 4947427
PubChem: 386588...7 total

ref: mol2, SDF, SMILES, flexibase
3.57,8.13,-9.95,1,3,0, 270.719, 1
169555
 
#90

eMolecules: 2017439
Molport: MolPort-002-117-140
AKOS: AKOS001620570
ChemDiv: 3388-1032
Mcule: MCULE-2076182094...21 total

ref: mol2, SDF, SMILES, flexibase
2.12,-2.85,-10.09,3,5,0, 237.646, 2

Similar to: 32253343,
322361
 
#91

BindingDB.org: 50028361
ChEMBL12: CHEMBL124937
ChEMBL12 10uM: CHEMBL124937
ChEMBL19: CHEMBL124937
ChemDB: 5020168...8 total

ref: mol2, SDF, SMILES, flexibase
2.62,-2.57,-10.24,3,5,0, 253.261, 2
406855
 
#92

eMolecules: 1100290
Scientific Exchange (make on demand): M-156887, R-037701
AKOS: AKOS002232733
Chembo Pharma: KB-305118
Innovapharm: STT-00135721...23 total

ref: mol2, SDF, SMILES, flexibase
2.49,0.1,-10.77,0,2,0, 206.295, 1

Similar to: 33793583,
26649450
 
#93

BindingDB.org: 50286251
ChEMBL12: CHEMBL327558
ChEMBL12 10uM: CHEMBL327558
ChEMBL19: CHEMBL327558
PubChem: 15984230...7 total

ref: mol2, SDF, SMILES, flexibase
6.09,10.66,-8.65,2,5,0, 501.667, 2

Similar to: 31494782, 31494784, 31494786, 31494788, 33990960, ... 10 in total.
13602557
 
#94

AKOS: AKOS005145119
ChEMBL12: CHEMBL273842, CHEMBL1761131
ChEMBL19: CHEMBL1761131, CHEMBL273842
PubChem: 54587089, 10352957
TTD via PubChem: DNC014631...9 total

ref: mol2, SDF, SMILES, flexibase
2.30,6.86,-11.3,0,2,0, 206.295, 1
13451868
 
#95

BindingDB.org: 50005469
ChEMBL12: CHEMBL9312
ChEMBL12 10uM: CHEMBL9312
ChEMBL19: CHEMBL9312
PubChem: 44265928...6 total

ref: mol2, SDF, SMILES, flexibase
5.32,11.38,-10.61,2,3,0, 342.442, 5
13451863
 
#96

BindingDB.org: 50005456
ChEMBL12: CHEMBL9308
ChEMBL12 10uM: CHEMBL9308
ChEMBL19: CHEMBL9308
PubChem: 44265973...6 total

ref: mol2, SDF, SMILES, flexibase
5.57,11.26,-10.06,2,3,0, 362.86, 5

Similar to: 5096108,
27416496
 
#97

BindingDB.org: 50075099
ChEMBL12: CHEMBL131684
ChEMBL19: CHEMBL131684
PubChem: 10336746
TTD via PubChem: DNC014627...5 total

ref: mol2, SDF, SMILES, flexibase
2.91,6.11,-15.27,1,5,0, 330.38, 5

Similar to: 32266741, 32266742, 34434629, 34544314, 34572310, ... 7 in total.
27416502
 
#98

BindingDB.org: 50075099
ChEMBL12: CHEMBL131684
ChEMBL19: CHEMBL131684
PubChem: 10336746
TTD via PubChem: DNC014627...5 total

ref: mol2, SDF, SMILES, flexibase
2.91,6.25,-14.25,1,5,0, 330.38, 5

Similar to: 34434629, 34544314, 34572310,
13451879
 
#99

BindingDB.org: 50005468
ChEMBL12: CHEMBL8893
ChEMBL12 10uM: CHEMBL8893
ChEMBL19: CHEMBL8893
PubChem: 44265913...6 total

ref: mol2, SDF, SMILES, flexibase
5.87,12.46,-7.72,1,2,0, 382.29, 5

Similar to: 34335780,
13451917
 
#100

BindingDB.org: 50005450
ChEMBL12: CHEMBL422036
ChEMBL12 10uM: CHEMBL422036
ChEMBL19: CHEMBL422036
PubChem: 44265967...6 total

ref: mol2, SDF, SMILES, flexibase
7.48,11.5,-7.48,2,3,0, 350.934, 11

Old detail retrieval took 2 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 = 593 ) limit 0,100

Smiles were