molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL435923 |
|
IC50 |
= |
1.2 |
nM |
387.53 |
O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1 |
Homo sapiens |
CHEMBL908721 |
cell-based format |
CHEMBL373821 |
OBDepict
O
N
H
H
N
|
IC50 |
= |
5.0 |
nM |
334.46 |
O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1 |
Homo sapiens |
CHEMBL908721 |
cell-based format |
CHEMBL340355 |
OBDepict
O
NH
H
NH
H
N
O
N
Cl
N
N
N
|
Ki |
= |
24.0 |
nM |
584.12 |
O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2Cn2cncn2)CC1)[C@H]1Cc2ccccc2CN1 |
Homo sapiens |
CHEMBL829733 |
cell-based format |
CHEMBL183434 |
OBDepict
NH
2
N
N
O
NH
H
O
H
HN
Cl
|
Ki |
= |
33.0 |
nM |
532.09 |
NCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 |
Homo sapiens |
CHEMBL829733 |
cell-based format |
CHEMBL1762009 |
OBDepict
Cl
N
H
H
N
O
N
O
H
CH
3
HN
H
H
3
C
NH
O
H
3
C
CH
3
H
3
C
|
IC50 |
= |
33.0 |
nM |
588.24 |
C[C@H]1CN(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 |
Homo sapiens |
CHEMBL1764411 |
cell-based format |
CHEMBL378837 |
OBDepict
H
3
C
N
H
O
N
H
O
N
H
O
H
2
N
H
N
NH
2
H
2
N
F
|
Ki |
= |
75.0 |
nM |
575.69 |
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCCN=C(N)N)C1=O |
Homo sapiens |
CHEMBL910339 |
single protein format |
CHEMBL443396 |
OBDepict
H
3
C
N
H
O
N
H
O
N
H
O
N
H
2
N
H
NH
NH
H
2
N
F
|
Ki |
= |
76.0 |
nM |
574.66 |
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C/C=N/NC(=N)N)C1=O |
Homo sapiens |
CHEMBL1027397 |
cell-based format |
CHEMBL233758 |
OBDepict
H
3
C
NH
O
N
H
N
N
N
N
O
CH
3
H
3
C
CH
3
H
3
C
|
Ki |
= |
130.0 |
nM |
574.81 |
CNC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 |
Homo sapiens |
CHEMBL895643 |
cell-based format |
CHEMBL213956 |
OBDepict
NH
2
N
H
NH
H
N
H
O
O
N
H
H
O
H
HN
|
Ki |
= |
156.0 |
nM |
584.76 |
N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1 |
Homo sapiens |
CHEMBL853375 |
cell-based format |
CHEMBL467586 |
OBDepict
H
3
C
N
H
N
H
O
H
CH
3
H
3
C
N
Cl
N
O
H
3
C
H
O
CH
3
Cl
|
Ki |
= |
160.0 |
nM |
549.54 |
CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C |
Homo sapiens |
CHEMBL963790 |
cell-based format |
CHEMBL449050 |
OBDepict
CH
3
H
N
O
N
O
HN
H
H
N
H
O
O
H
3
C
O
CH
3
F
|
Ki |
= |
170.0 |
nM |
590.7 |
CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COC |
Homo sapiens |
CHEMBL1027397 |
cell-based format |
CHEMBL467772 |
OBDepict
H
3
C
N
H
N
H
O
H
CH
3
H
3
C
N
F
N
O
H
3
C
H
O
CH
3
Cl
|
Ki |
= |
190.0 |
nM |
533.09 |
CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C |
Homo sapiens |
CHEMBL963790 |
cell-based format |
CHEMBL525177 |
OBDepict
CH
3
N
H
N
H
O
H
H
3
C
CH
3
N
Cl
N
O
CH
3
H
Cl
|
Ki |
= |
200.0 |
nM |
519.52 |
CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C |
Homo sapiens |
CHEMBL963790 |
cell-based format |
CHEMBL466380 |
OBDepict
H
3
C
H
N
O
N
O
NH
H
H
N
H
O
O
CH
3
CH
3
F
|
Ki |
= |
201.0 |
nM |
560.67 |
CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O |
Homo sapiens |
CHEMBL1027397 |
cell-based format |
CHEMBL215576 |
OBDepict
H
3
C
N
H
O
N
H
O
N
H
O
N
NH
2
H
2
N
F
|
Ki |
= |
206.0 |
nM |
560.67 |
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)CCc2ccc(F)cc2)[C@@H](CCCN=C(N)N)C1=O |
Homo sapiens |
CHEMBL910339 |
single protein format |
CHEMBL375440 |
OBDepict
H
2
N
N
H
NH
H
N
H
O
O
NH
H
O
H
N
H
|
Ki |
= |
219.0 |
nM |
570.74 |
N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1 |
Homo sapiens |
CHEMBL853375 |
cell-based format |
CHEMBL467587 |
OBDepict
CH
3
O
Cl
H
3
C
H
N
O
N
N
H
H
Cl
CH
3
H
3
C
O
NH
2
H
3
C
H
|
Ki |
= |
220.0 |
nM |
549.54 |
COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(Cl)cc2[C@@H](NC(=O)[C@@H](C)N)C(C)C)CC1 |
Homo sapiens |
CHEMBL963790 |
cell-based format |
CHEMBL240571 |
OBDepict
H
3
C
N
H
N
H
O
H
CH
3
H
3
C
N
CH
3
N
O
H
3
C
H
F
Cl
|
Ki |
= |
230.0 |
nM |
517.09 |
CNCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1)C(C)C |
Homo sapiens |
CHEMBL900803 |
single protein format |
CHEMBL1761871 |
OBDepict
CH
3
H
HN
N
H
HN
O
H
3
C
H
N
O
F
NH
O
H
3
C
H
3
C
CH
3
|
IC50 |
= |
230.0 |
nM |
599.84 |
CC[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](CC)N1 |
Homo sapiens |
CHEMBL1764411 |
cell-based format |
CHEMBL211975 |
OBDepict
H
3
C
N
H
O
N
H
O
N
H
O
H
2
N
H
N
NH
2
H
2
N
|
Ki |
= |
239.0 |
nM |
557.7 |
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccccc2)[C@@H](CCCN=C(N)N)C1=O |
Homo sapiens |
CHEMBL910339 |
single protein format |
CHEMBL240364 |
OBDepict
H
2
N
N
H
O
H
CH
3
H
3
C
N
CH
3
N
O
H
3
C
H
Cl
|
Ki |
= |
270.0 |
nM |
499.1 |
Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN)C(C)C)c1 |
Homo sapiens |
CHEMBL900803 |
single protein format |
CHEMBL452710 |
OBDepict
CH
3
H
N
O
N
O
HN
H
H
N
H
O
O
H
3
C
N
H
CH
3
F
|
Ki |
= |
282.0 |
nM |
589.71 |
CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CNC |
Homo sapiens |
CHEMBL1027397 |
cell-based format |
CHEMBL212766 |
OBDepict
CH
3
N
H
O
H
N
O
H
H
O
N
NH
2
H
2
N
|
Ki |
= |
289.0 |
nM |
515.66 |
CC(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N |
Homo sapiens |
CHEMBL853375 |
cell-based format |
CHEMBL377231 |
OBDepict
CH
3
O
Cl
H
3
C
N
O
N
NH
2
H
F
F
F
H
3
C
CH
3
|
Ki |
= |
320.0 |
nM |
526.04 |
COc1cc(Cl)ccc1CC(C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1 |
Homo sapiens |
CHEMBL856322 |
cell-based format |
CHEMBL218748 |
OBDepict
O
N
H
H
N
|
IC50 |
= |
350.0 |
nM |
334.46 |
O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 |
Homo sapiens |
CHEMBL908721 |
cell-based format |
CHEMBL498150 |
OBDepict
H
3
C
N
NH
O
H
CH
3
H
3
C
N
Cl
N
O
H
3
C
H
Cl
|
Ki |
= |
380.0 |
nM |
545.55 |
CC(C)[C@H](NC(=O)C1CN(C)C1)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 |
Homo sapiens |
CHEMBL963790 |
cell-based format |
CHEMBL380437 |
OBDepict
NH
2
NH
HN
H
N
H
O
O
H
H
NH
|
Ki |
= |
382.0 |
nM |
567.78 |
N=C(N)NCCC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@H](CC[C@H]1Cc2ccccc2CN1)Cc1ccccc1 |
Homo sapiens |
CHEMBL866557 |
single protein format |
CHEMBL1762008 |
OBDepict
H
3
C
H
NH
N
H
NH
O
H
3
C
H
N
O
F
HN
O
CH
3
CH
3
CH
3
|
IC50 |
= |
390.0 |
nM |
599.84 |
CC[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](CC)N1 |
Homo sapiens |
CHEMBL1764411 |
cell-based format |
CHEMBL233135 |
OBDepict
CH
3
H
3
C
N
O
H
3
C
CH
3
N
N
NH
N
O
CH
3
|
Ki |
= |
400.0 |
nM |
559.8 |
CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 |
Homo sapiens |
CHEMBL895643 |
cell-based format |
CHEMBL429387 |
OBDepict
O
NH
H
H
N
H
H
CH
3
N
O
F
NH
O
H
3
C
CH
3
H
3
C
|
IC50 |
= |
410.0 |
nM |
582.8 |
CN1C[C@@H]2CC[C@H]1[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC1)C2 |
Homo sapiens |
CHEMBL831023 |
cell-based format |
CHEMBL427860 |
OBDepict
CH
3
N
H
3
C
N
H
O
H
H
3
C
CH
3
N
H
3
C
N
O
H
3
C
H
Cl
|
Ki |
= |
420.0 |
nM |
527.15 |
Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 |
Homo sapiens |
CHEMBL900803 |
single protein format |
CHEMBL467588 |
OBDepict
CH
3
N
CH
3
HN
O
H
H
3
C
CH
3
N
Cl
N
O
H
3
C
H
Cl
|
Ki |
= |
450.0 |
nM |
547.57 |
CC(C)[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 |
Homo sapiens |
CHEMBL963790 |
cell-based format |
CHEMBL236014 |
OBDepict
H
2
N
HN
O
H
N
O
Cl
N
Cl
F
NH
2
H
CH
3
H
3
C
|
Ki |
= |
450.0 |
nM |
552.52 |
CC(C)C[C@H](N)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 |
Homo sapiens |
CHEMBL898345 |
cell-based format |
CHEMBL213284 |
OBDepict
H
3
C
N
H
O
N
H
O
N
H
O
H
2
N
H
NH
O
H
2
N
F
|
Ki |
= |
461.0 |
nM |
576.67 |
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCCNC(N)=O)C1=O |
Homo sapiens |
CHEMBL910339 |
single protein format |
CHEMBL206033 |
OBDepict
NH
2
HN
HN
H
N
H
O
O
HN
H
O
H
N
H
|
Ki |
= |
468.0 |
nM |
582.75 |
N=C(N)NCCC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2CN1 |
Homo sapiens |
CHEMBL866557 |
single protein format |
CHEMBL213566 |
OBDepict
H
3
C
N
H
O
N
H
O
N
H
O
HN
H
2
N
H
NH
H
2
N
F
|
Ki |
= |
470.0 |
nM |
561.66 |
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNC(=N)N)C1=O |
Homo sapiens |
CHEMBL910339 |
single protein format |
CHEMBL1209788 |
OBDepict
N
CH
3
H
3
C
H
O
CH
3
N
Cl
O
H
N
H
F
O
F
|
IC50 |
= |
482.7 |
nM |
598.13 |
Cc1cc2c(cc1Cl)C1(CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(F)cc3F)CC1)O[C@@H]2C(C)(C)C#N |
Homo sapiens |
CHEMBL1212001 |
single protein format |
CHEMBL497746 |
OBDepict
CH
3
N
CH
3
HN
O
H
H
3
C
CH
3
N
F
N
O
H
3
C
H
Cl
|
Ki |
= |
490.0 |
nM |
531.12 |
CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 |
Homo sapiens |
CHEMBL963790 |
cell-based format |
CHEMBL392092 |
OBDepict
CH
3
O
O
N
N
N
N
O
CH
3
H
3
C
H
3
C
CH
3
|
Ki |
= |
540.0 |
nM |
560.78 |
COc1ccc(C(=O)c2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 |
Homo sapiens |
CHEMBL895643 |
cell-based format |
CHEMBL194987 |
OBDepict
Cl
Cl
N
H
H
N
O
N
O
CH
3
H
3
C
N
HN
S
|
Ki |
= |
560.0 |
nM |
588.61 |
CN(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 |
Homo sapiens |
CHEMBL839715 |
cell-based format |
CHEMBL195071 |
OBDepict
CH
3
N
H
O
H
N
O
Cl
N
Cl
NH
S
|
Ki |
= |
570.0 |
nM |
559.56 |
CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 |
Homo sapiens |
CHEMBL839715 |
cell-based format |
CHEMBL467771 |
OBDepict
CH
3
N
H
N
H
O
H
H
3
C
CH
3
N
F
N
O
CH
3
H
Cl
|
Ki |
= |
570.0 |
nM |
503.06 |
CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C |
Homo sapiens |
CHEMBL963790 |
cell-based format |
CHEMBL187774 |
OBDepict
O
N
H
H
H
N
H
H
H
N
O
F
N
H
O
CH
3
CH
3
H
3
C
|
IC50 |
= |
620.0 |
nM |
568.78 |
CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]2C[C@@H]3CC[C@@H]2NC3)CC1 |
Homo sapiens |
CHEMBL831023 |
cell-based format |
CHEMBL2113031 |
OBDepict
O
N
H
H
H
N
H
H
H
N
O
F
N
H
O
CH
3
CH
3
H
3
C
|
IC50 |
= |
620.0 |
nM |
568.78 |
CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2C[C@H]3CC[C@@H]2NC3)CC1 |
Homo sapiens |
CHEMBL831023 |
cell-based format |
CHEMBL365597 |
OBDepict
H
2
N
N
H
O
H
N
O
Cl
N
Cl
NH
S
|
Ki |
= |
640.0 |
nM |
588.61 |
NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 |
Homo sapiens |
CHEMBL839715 |
cell-based format |
CHEMBL236940 |
OBDepict
H
3
C
CH
3
NH
2
H
N
F
F
F
N
O
N
H
O
Cl
Cl
|
Ki |
= |
640.0 |
nM |
599.53 |
CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 |
Homo sapiens |
CHEMBL898345 |
cell-based format |
CHEMBL1761870 |
OBDepict
F
N
H
H
N
O
N
O
H
CH
3
HN
H
H
3
C
NH
O
H
3
C
CH
3
H
3
C
|
IC50 |
= |
650.0 |
nM |
571.78 |
C[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 |
Homo sapiens |
CHEMBL1764411 |
cell-based format |
CHEMBL240780 |
OBDepict
H
3
C
NH
N
H
O
H
H
3
C
CH
3
N
H
3
C
N
O
H
3
C
H
Cl
|
Ki |
= |
710.0 |
nM |
513.13 |
CNCCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C |
Homo sapiens |
CHEMBL900803 |
single protein format |
CHEMBL266647 |
OBDepict
H
3
C
H
3
C
NH
H
N
O
Cl
N
N
H
3
C
H
3
C
O
H
3
C
H
Cl
|
Ki |
= |
710.0 |
nM |
561.6 |
CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 |
Homo sapiens |
CHEMBL900283 |
cell-based format |
CHEMBL460138 |
OBDepict
CH
3
H
N
O
N
O
NH
2
H
H
N
H
O
H
3
C
F
|
Ki |
= |
727.0 |
nM |
518.63 |
CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1 |
Homo sapiens |
CHEMBL1027397 |
cell-based format |
CHEMBL339053 |
OBDepict
O
NH
H
NH
H
N
O
Cl
N
N
N
|
Ki |
= |
736.0 |
nM |
589.18 |
O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 |
Homo sapiens |
CHEMBL839555 |
single protein format |
CHEMBL1761874 |
OBDepict
F
N
H
H
N
O
N
O
H
CH
3
HN
H
H
3
C
NH
O
H
3
C
CH
3
H
3
C
|
IC50 |
= |
740.0 |
nM |
571.78 |
C[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@H](C)N1 |
Homo sapiens |
CHEMBL1764411 |
cell-based format |
CHEMBL393576 |
OBDepict
H
2
N
N
H
H
N
H
3
C
CH
3
F
N
O
N
H
O
Cl
Cl
|
Ki |
= |
750.0 |
nM |
592.59 |
CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 |
Homo sapiens |
CHEMBL899755 |
single protein format |
CHEMBL1761872 |
OBDepict
CH
3
N
H
H
3
C
H
CH
3
N
N
H
O
H
N
O
F
NH
O
H
3
C
H
3
C
CH
3
|
IC50 |
= |
760.0 |
nM |
585.81 |
C[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1C |
Homo sapiens |
CHEMBL1764411 |
cell-based format |
CHEMBL398929 |
OBDepict
H
3
C
O
F
HN
N
N
O
H
N
H
CH
3
H
3
C
Cl
|
Ki |
= |
760.0 |
nM |
585.21 |
COc1ccc(CNCC2(N3CCN(C(=O)[C@H]4CN(C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1F |
Homo sapiens |
CHEMBL942956 |
single protein format |
CHEMBL339053 |
OBDepict
O
NH
H
NH
H
N
O
Cl
N
N
N
|
IC50 |
= |
761.0 |
nM |
589.18 |
O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 |
Homo sapiens |
CHEMBL717672 |
cell-based format |
CHEMBL363576 |
OBDepict
H
3
C
NH
N
H
O
H
N
O
Cl
N
Cl
NH
S
|
Ki |
= |
790.0 |
nM |
588.6 |
CCNC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 |
Homo sapiens |
CHEMBL839715 |
cell-based format |
CHEMBL215659 |
OBDepict
H
2
N
NH
O
H
H
3
C
N
CH
3
F
F
F
N
O
Cl
Cl
|
Ki |
= |
800.0 |
nM |
587.51 |
CCC(C)[C@H](NC(=O)CCN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 |
Homo sapiens |
CHEMBL869278 |
cell-based format |
CHEMBL194393 |
OBDepict
H
3
C
O
N
H
O
H
N
O
Cl
N
Cl
NH
S
|
Ki |
= |
800.0 |
nM |
589.59 |
CCOC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 |
Homo sapiens |
CHEMBL839715 |
cell-based format |
CHEMBL373099 |
OBDepict
CH
3
O
N
H
O
H
N
O
Cl
N
Cl
NH
S
|
Ki |
= |
810.0 |
nM |
575.56 |
COC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 |
Homo sapiens |
CHEMBL839715 |
cell-based format |
CHEMBL209622 |
OBDepict
NH
2
N
NH
2
H
N
H
O
O
N
H
H
O
H
2
N
H
O
H
2
N
|
Ki |
= |
835.0 |
nM |
587.73 |
NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N |
Homo sapiens |
CHEMBL853375 |
cell-based format |
CHEMBL364346 |
OBDepict
O
NH
H
H
N
H
H
CH
3
N
O
F
NH
O
H
3
C
CH
3
H
3
C
|
IC50 |
= |
942.0 |
nM |
582.8 |
CN1C[C@H]2CC[C@@H]1[C@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC1)C2 |
Homo sapiens |
CHEMBL831023 |
cell-based format |
CHEMBL460349 |
OBDepict
CH
3
N
H
O
N
H
O
N
H
H
3
C
O
H
2
N
H
F
|
Ki |
= |
947.0 |
nM |
504.61 |
CC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1 |
Homo sapiens |
CHEMBL1027397 |
cell-based format |
CHEMBL1761873 |
OBDepict
F
N
H
H
N
O
N
O
H
CH
3
HN
H
H
3
C
NH
O
H
3
C
CH
3
H
3
C
|
IC50 |
= |
970.0 |
nM |
571.78 |
C[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 |
Homo sapiens |
CHEMBL1764411 |
cell-based format |
CHEMBL186083 |
OBDepict
H
2
N
N
H
O
H
N
O
N
Cl
NH
S
|
Ki |
= |
1000.0 |
nM |
554.16 |
NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 |
Homo sapiens |
CHEMBL828965 |
cell-based format |