molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2177429 |
|
Ki |
= |
0.01 |
nM |
516.56 |
CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 |
Homo sapiens |
CHEMBL2446586 |
cell-based format |
CHEMBL3407762 |
OBDepict
CH
3
O
N
NH
Cl
F
F
O
CH
3
F
HN
S
O
O
H
3
C
|
Ki |
= |
0.02 |
nM |
507.96 |
CCCCOc1nc(C(F)(F)Cl)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3412245 |
cell-based format |
CHEMBL3393837 |
OBDepict
CH
3
N
N
HN
F
F
F
N
H
O
N
|
Ki |
= |
0.02 |
nM |
443.47 |
CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3cnccc23)CC1 |
Homo sapiens |
CHEMBL3396782 |
single protein format |
CHEMBL3627950 |
OBDepict
O
HN
H
3
C
F
S
NH
S
O
O
H
3
C
F
F
F
|
Ki |
= |
0.03 |
nM |
518.6 |
CC(C(=O)NCc1ccc(C(F)(F)F)cc1SC1CCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3630758 |
cell-based format |
CHEMBL3407765 |
OBDepict
O
HN
H
3
C
F
O
N
NH
S
O
O
H
3
C
Cl
F
F
|
Ki |
= |
0.04 |
nM |
519.97 |
CC(C(=O)NCc1ccc(C(F)(F)Cl)nc1OC1CCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3412245 |
cell-based format |
CHEMBL2442912 |
OBDepict
F
N
H
S
CH
3
H
O
O
CH
3
N
H
O
S
N
F
F
F
|
Ki |
= |
0.05 |
nM |
533.61 |
C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL2446586 |
cell-based format |
CHEMBL3681230 |
OBDepict
CH
3
O
OH
Br
NH
O
N
N
F
F
F
CH
3
|
Ki |
= |
0.1 |
nM |
516.36 |
COc1cc(CC(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)cc(Br)c1O |
Homo sapiens |
CHEMBL3707916 |
assay format |
CHEMBL3689046 |
OBDepict
O
N
H
H
3
C
H
N
F
N
N
H
S
F
F
F
O
O
CH
3
Cl
|
Ki |
= |
0.1 |
nM |
518.92 |
C[C@H](C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3705875 |
cell-based format |
CHEMBL4242293 |
OBDepict
CH
3
N
N
N
H
F
F
F
O
Cl
Cl
NH
2
|
Ki |
= |
0.1 |
nM |
475.34 |
CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2cc(Cl)c(N)c(Cl)c2)CC1 |
Homo sapiens |
CHEMBL4235298 |
cell-based format |
CHEMBL3314411 |
OBDepict
F
N
H
S
CH
3
H
O
O
CH
3
N
H
O
N
F
F
F
CH
3
CH
3
|
Ki |
= |
0.1 |
nM |
527.58 |
C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=CCC(C)(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3373787 |
cell-based format |
CHEMBL3314406 |
OBDepict
O
HN
H
3
C
F
N
NH
S
O
O
H
3
C
F
F
F
H
H
3
C
|
Ki |
= |
0.1 |
nM |
513.56 |
CC(C(=O)NCc1ccc(C(F)(F)F)nc1C1=C[C@H](C)CCC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3373787 |
cell-based format |
CHEMBL3314409 |
OBDepict
O
HN
H
3
C
H
F
N
NH
S
O
O
H
3
C
F
F
F
H
3
C
H
3
C
CH
3
|
Ki |
= |
0.1 |
nM |
555.64 |
C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=CCC(C(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3373787 |
cell-based format |
CHEMBL3314407 |
OBDepict
CH
3
N
HN
F
F
F
O
CH
3
F
HN
S
O
O
H
3
C
|
Ki |
= |
0.1 |
nM |
527.58 |
CCC1CC=C(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 |
Homo sapiens |
CHEMBL3373787 |
cell-based format |
CHEMBL3689037 |
OBDepict
O
N
H
H
3
C
H
N
F
N
N
H
S
CH
3
CH
3
CH
3
O
O
CH
3
Cl
|
Ki |
= |
0.1 |
nM |
507.03 |
C[C@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3705875 |
cell-based format |
CHEMBL3427109 |
OBDepict
H
3
C
N
N
NH
F
F
F
O
F
H
3
C
NH
S
O
O
CH
3
|
Ki |
= |
0.1 |
nM |
592.66 |
Cc1cccc(C(C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)c2ccc(NS(C)(=O)=O)c(F)c2)c1 |
Homo sapiens |
CHEMBL3428072 |
cell-based format |
CHEMBL4104073 |
OBDepict
CH
3
N
N
HN
CH
3
CH
3
CH
3
O
CH
3
F
HN
S
O
O
H
3
C
|
Ki |
= |
0.1 |
nM |
518.7 |
CCC1CCN(c2nc(C(C)(C)C)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 |
Homo sapiens |
CHEMBL4038710 |
cell-based format |
CHEMBL4215829 |
OBDepict
F
N
H
S
CH
3
H
O
O
CH
3
N
H
O
N
N
H
3
C
H
3
C
CH
3
Cl
F
|
Ki |
= |
0.1 |
nM |
525.02 |
C[C@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(F)c(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL4178989 |
cell-based format |
CHEMBL3314405 |
OBDepict
O
N
H
CH
3
F
N
HN
S
O
O
H
3
C
F
F
F
H
3
C
|
Ki |
= |
0.2 |
nM |
513.56 |
CC1C=C(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CCC1 |
Homo sapiens |
CHEMBL3373787 |
cell-based format |
CHEMBL4125690 |
OBDepict
H
3
C
N
N
HN
F
F
F
O
CH
3
F
F
NH
S
O
O
CH
3
|
Ki |
= |
0.2 |
nM |
534.55 |
CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cc(F)c(NS(C)(=O)=O)c(F)c2)CC1 |
Homo sapiens |
CHEMBL4125101 |
cell-based format |
CHEMBL2178063 |
OBDepict
H
3
C
N
N
CH
3
HN
F
F
F
O
CH
3
F
NH
S
O
O
CH
3
|
Ki |
= |
0.2 |
nM |
518.58 |
CCCN(CCC)c1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3630759 |
cell-based format |
CHEMBL3314410 |
OBDepict
H
3
C
N
H
O
F
N
H
S
N
O
O
CH
3
F
F
F
CH
3
CH
3
|
Ki |
= |
0.2 |
nM |
527.58 |
CC(C(=O)NCc1ccc(C(F)(F)F)nc1C1=CCC(C)(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3373787 |
cell-based format |
CHEMBL3314408 |
OBDepict
O
HN
H
3
C
F
N
NH
S
O
O
H
3
C
F
F
F
H
3
C
H
3
C
CH
3
|
Ki |
= |
0.2 |
nM |
555.64 |
CC(C(=O)NCc1ccc(C(F)(F)F)nc1C1=CCC(C(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3373787 |
cell-based format |
CHEMBL3317476 |
OBDepict
H
3
C
N
H
O
F
N
H
S
N
O
O
CH
3
F
F
F
Cl
F
|
Ki |
= |
0.2 |
nM |
547.93 |
CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(F)c(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3361606 |
cell-based format |
CHEMBL3314377 |
OBDepict
O
N
H
CH
3
F
Cl
N
HN
S
O
O
H
3
C
F
F
F
|
Ki |
= |
0.2 |
nM |
453.85 |
CC(C(=O)NCc1ccc(C(F)(F)F)nc1Cl)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3373787 |
cell-based format |
CHEMBL2177440 |
OBDepict
O
HN
H
3
C
F
N
N
NH
S
O
O
H
3
C
F
F
F
|
Ki |
= |
0.2 |
nM |
592.66 |
CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(Cc2ccccc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3630759 |
cell-based format |
CHEMBL3314393 |
OBDepict
CH
3
N
HN
F
F
F
O
CH
3
H
F
HN
S
O
O
H
3
C
|
Ki |
= |
0.2 |
nM |
529.6 |
CCC1CCC(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 |
Homo sapiens |
CHEMBL3373787 |
cell-based format |
CHEMBL3314404 |
OBDepict
H
3
C
N
HN
F
F
F
O
H
3
C
H
F
NH
S
O
O
CH
3
|
Ki |
= |
0.2 |
nM |
513.56 |
CC1CC=C(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 |
Homo sapiens |
CHEMBL3373787 |
cell-based format |
CHEMBL2177428 |
OBDepict
H
3
C
N
N
HN
F
F
F
O
CH
3
F
NH
S
O
O
CH
3
|
Ki |
= |
0.23 |
nM |
516.56 |
CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 |
Homo sapiens |
CHEMBL2389486 |
cell-based format |
CHEMBL4781687 |
OBDepict
H
3
C
N
N
NH
F
F
F
N
H
O
N
H
O
|
IC50 |
= |
0.27 |
nM |
459.47 |
CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3[nH]c(=O)ccc23)CC1 |
Homo sapiens |
CHEMBL4775810 |
cell-based format |
CHEMBL3689041 |
OBDepict
Cl
N
N
HN
F
F
F
O
CH
3
F
HN
S
O
O
H
3
C
|
Ki |
= |
0.3 |
nM |
518.92 |
CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3705875 |
cell-based format |
CHEMBL2385418 |
OBDepict
O
N
H
CH
3
F
O
N
HN
S
O
O
H
3
C
F
F
F
F
F
F
|
Ki |
= |
0.3 |
nM |
585.54 |
CC(C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCC(C(F)(F)F)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL2389489 |
cell-based format |
CHEMBL4782906 |
OBDepict
O
N
H
NH
N
N
N
N
H
CH
3
CH
3
H
3
C
F
F
F
|
Ki |
= |
0.3 |
nM |
456.47 |
CC(C)(C)c1cc(CNC(=O)Nc2cccc3[nH]ncc23)n(-c2cccc(C(F)(F)F)c2)n1 |
Homo sapiens |
CHEMBL4702199 |
cell-based format |
CHEMBL3627723 |
OBDepict
F
N
H
S
CH
3
H
O
O
CH
3
N
H
O
S
F
F
F
|
Ki |
= |
0.3 |
nM |
532.63 |
C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1SC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3630759 |
cell-based format |
CHEMBL2385423 |
OBDepict
CH
3
O
N
NH
F
F
F
O
CH
3
F
HN
S
O
O
H
3
C
|
Ki |
= |
0.3 |
nM |
491.51 |
CCCCOc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL2389489 |
cell-based format |
CHEMBL3689036 |
OBDepict
O
N
H
H
3
C
N
F
N
N
H
S
CH
3
CH
3
CH
3
O
O
CH
3
Cl
|
Ki |
= |
0.3 |
nM |
507.03 |
CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3705875 |
cell-based format |
CHEMBL4129132 |
OBDepict
CH
3
O
NH
S
F
CH
3
O
O
H
3
C
NH
O
N
N
F
F
F
CH
3
|
Ki |
= |
0.3 |
nM |
546.59 |
COc1cc(C(C)C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)cc(F)c1NS(C)(=O)=O |
Homo sapiens |
CHEMBL4125101 |
cell-based format |
CHEMBL3314390 |
OBDepict
O
N
H
H
3
C
H
F
N
HN
S
O
O
H
3
C
F
F
F
|
Ki |
= |
0.3 |
nM |
501.55 |
C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3373787 |
cell-based format |
CHEMBL323134 |
OBDepict
O
HN
N
H
N
CH
3
CH
3
CH
3
|
Ki |
= |
0.3 |
nM |
333.44 |
CC(C)(C)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1 |
Homo sapiens |
CHEMBL820100 |
cell-based format |
CHEMBL3314403 |
OBDepict
H
3
C
N
HN
F
F
F
O
CH
3
F
NH
S
O
O
CH
3
|
Ki |
= |
0.3 |
nM |
513.56 |
CC1CC=C(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 |
Homo sapiens |
CHEMBL3373787 |
cell-based format |
CHEMBL2385246 |
OBDepict
H
3
C
N
H
O
F
N
H
S
O
N
O
O
CH
3
F
F
F
H
H
CH
3
|
Ki |
= |
0.3 |
nM |
503.52 |
CC(C(=O)NCc1ccc(C(F)(F)F)nc1OC[C@@H]1C[C@H]1C)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL2389489 |
cell-based format |
CHEMBL3689043 |
OBDepict
Cl
N
N
HN
F
F
F
O
H
3
C
H
F
HN
S
O
O
H
3
C
|
Ki |
= |
0.3 |
nM |
518.92 |
C[C@H](C(=O)NCc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3705875 |
cell-based format |
CHEMBL398338 |
OBDepict
O
N
H
N
H
H
N
N
H
H
3
C
CH
3
H
3
C
|
Ki |
= |
0.3 |
nM |
348.45 |
CC(C)(C)c1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc2[nH]ncc12 |
Homo sapiens |
CHEMBL4702199 |
cell-based format |
CHEMBL3314398 |
OBDepict
F
N
H
S
CH
3
H
O
O
CH
3
N
H
O
N
F
F
F
CH
3
CH
3
|
Ki |
= |
0.3 |
nM |
529.6 |
C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1CCC(C)(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3373787 |
cell-based format |
CHEMBL3407753 |
OBDepict
H
3
C
N
N
HN
Cl
F
F
O
CH
3
F
NH
S
O
O
CH
3
|
Ki |
= |
0.3 |
nM |
533.02 |
CC1CCN(c2nc(C(F)(F)Cl)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 |
Homo sapiens |
CHEMBL3412242 |
cell-based format |
CHEMBL3689044 |
OBDepict
O
N
H
H
3
C
N
F
N
N
H
S
F
F
F
O
O
CH
3
Cl
|
Ki |
= |
0.3 |
nM |
518.92 |
CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3705875 |
cell-based format |
CHEMBL3314396 |
OBDepict
O
HN
H
3
C
F
N
NH
H
S
O
O
H
3
C
F
F
F
H
CH
3
H
3
C
CH
3
|
Ki |
= |
0.3 |
nM |
557.65 |
CC(C(=O)NCc1ccc(C(F)(F)F)nc1[C@H]1CC[C@H](C(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3373787 |
cell-based format |
CHEMBL3317484 |
OBDepict
O
N
H
CH
3
F
N
HN
S
S
O
O
H
3
C
F
F
F
|
Ki |
= |
0.3 |
nM |
501.53 |
CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccs1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3361606 |
cell-based format |
CHEMBL3629486 |
OBDepict
H
3
C
N
CH
3
HN
F
F
F
O
CH
3
F
NH
S
O
O
CH
3
|
Ki |
= |
0.3 |
nM |
517.59 |
CCCN(CCC)c1cc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3630759 |
cell-based format |
CHEMBL3314394 |
OBDepict
O
HN
H
3
C
F
N
NH
S
O
O
H
3
C
F
F
F
H
3
C
H
3
C
CH
3
|
Ki |
= |
0.3 |
nM |
557.65 |
CC(C(=O)NCc1ccc(C(F)(F)F)nc1C1CCC(C(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3373787 |
cell-based format |
CHEMBL4078240 |
OBDepict
F
N
NH
H
3
C
CH
3
H
3
C
O
CH
3
F
NH
S
O
O
CH
3
|
Ki |
= |
0.3 |
nM |
501.6 |
CC(C(=O)NCc1ccc(C(C)(C)C)nc1-c1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL4038710 |
cell-based format |
CHEMBL3681232 |
OBDepict
CH
3
N
N
N
H
F
F
F
O
Br
Br
OH
|
Ki |
= |
0.3 |
nM |
565.23 |
CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2cc(Br)c(O)c(Br)c2)CC1 |
Homo sapiens |
CHEMBL3707916 |
assay format |
CHEMBL3314392 |
OBDepict
CH
3
N
HN
F
F
F
O
CH
3
F
HN
S
O
O
H
3
C
|
Ki |
= |
0.3 |
nM |
529.6 |
CCC1CCC(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 |
Homo sapiens |
CHEMBL3373787 |
cell-based format |
CHEMBL4105672 |
OBDepict
O
HN
H
3
C
F
N
N
NH
S
O
O
H
3
C
H
3
C
CH
3
H
3
C
|
Ki |
= |
0.3 |
nM |
580.77 |
CC(C(=O)NCc1ccc(C(C)(C)C)nc1N1CCC(Cc2ccccc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL4038710 |
cell-based format |
CHEMBL2385248 |
OBDepict
H
3
C
N
H
O
F
N
H
S
O
N
O
O
CH
3
F
F
F
|
Ki |
= |
0.3 |
nM |
503.52 |
CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CCC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL2389489 |
cell-based format |
CHEMBL3629494 |
OBDepict
H
3
C
N
H
O
F
N
H
S
N
O
O
CH
3
F
F
F
F
F
F
|
Ki |
= |
0.4 |
nM |
569.54 |
CC(C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(C(F)(F)F)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3630759 |
cell-based format |
CHEMBL3689048 |
OBDepict
H
3
C
O
HN
S
CH
3
O
O
H
3
C
HN
O
N
N
F
F
F
Cl
|
Ki |
= |
0.4 |
nM |
530.96 |
COc1cc(C(C)C(=O)NCc2cc(C(F)(F)F)nn2-c2cccc(Cl)c2)ccc1NS(C)(=O)=O |
Homo sapiens |
CHEMBL3705875 |
cell-based format |
CHEMBL2385249 |
OBDepict
H
3
C
N
H
O
F
N
H
S
O
N
O
O
CH
3
F
F
F
|
Ki |
= |
0.4 |
nM |
517.55 |
CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL2389489 |
cell-based format |
CHEMBL3314391 |
OBDepict
H
3
C
N
HN
F
F
F
O
CH
3
F
NH
S
O
O
CH
3
|
Ki |
= |
0.4 |
nM |
515.57 |
CC1CCC(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 |
Homo sapiens |
CHEMBL3373787 |
cell-based format |
CHEMBL2385426 |
OBDepict
CH
3
O
N
N
H
F
F
F
O
CH
3
H
F
N
H
S
O
O
CH
3
|
Ki |
= |
0.4 |
nM |
519.56 |
CCCCCCOc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL2389489 |
cell-based format |
CHEMBL3393836 |
OBDepict
CH
3
N
N
HN
F
F
F
N
H
O
N
|
Ki |
= |
0.4 |
nM |
443.47 |
CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3ccncc23)CC1 |
Homo sapiens |
CHEMBL3396779 |
single protein format |
CHEMBL3314397 |
OBDepict
H
3
C
N
H
O
F
N
H
S
N
O
O
CH
3
F
F
F
CH
3
CH
3
|
Ki |
= |
0.4 |
nM |
529.6 |
CC(C(=O)NCc1ccc(C(F)(F)F)nc1C1CCC(C)(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3373787 |
cell-based format |
CHEMBL3317477 |
OBDepict
H
3
C
N
H
O
F
N
H
S
N
O
O
CH
3
F
F
F
CH
3
F
|
Ki |
= |
0.4 |
nM |
527.52 |
Cc1cc(-c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)ccc1F |
Homo sapiens |
CHEMBL3361606 |
cell-based format |
CHEMBL4752231 |
OBDepict
O
N
H
N
H
N
N
N
N
H
3
C
CH
3
H
3
C
CH
3
Cl
|
Ki |
= |
0.4 |
nM |
436.95 |
Cn1ncc2c(NC(=O)NCc3cc(C(C)(C)C)nn3-c3cccc(Cl)c3)cccc21 |
Homo sapiens |
CHEMBL4702199 |
cell-based format |
CHEMBL3629227 |
OBDepict
CH
3
NH
F
F
F
O
CH
3
F
HN
S
O
O
H
3
C
|
Ki |
= |
0.4 |
nM |
488.55 |
CCCCCc1cc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3630759 |
cell-based format |
CHEMBL2177405 |
OBDepict
O
HN
H
3
C
F
N
N
NH
S
O
O
H
3
C
F
F
F
F
F
F
|
Ki |
= |
0.4 |
nM |
570.53 |
CC(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C(F)(F)F)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3630759 |
cell-based format |
CHEMBL4471708 |
OBDepict
O
N
H
NH
N
OH
F
F
F
N
H
3
C
CH
3
|
Ki |
= |
0.46 |
nM |
576.66 |
CN(C)C1(Cc2ccccc2)CCN(c2cc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3ccc(O)cc23)CC1 |
Homo sapiens |
CHEMBL4408644 |
cell-based format |
CHEMBL3910069 |
OBDepict
O
N
HN
N
Cl
CH
3
CH
3
H
3
C
N
O
N
CH
3
|
IC50 |
= |
0.5 |
nM |
451.96 |
Cc1nnc(-c2cnc(C3=CCN(C(=O)Nc4ccc(C(C)(C)C)cc4)CC3)c(Cl)c2)o1 |
Homo sapiens |
CHEMBL3887100 |
assay format |
CHEMBL4102090 |
OBDepict
CH
3
O
N
H
CH
3
CH
3
H
3
C
O
H
3
C
F
N
H
S
O
O
CH
3
|
Ki |
= |
0.5 |
nM |
506.68 |
CCCCCCOc1cc(C(C)(C)C)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL4038710 |
cell-based format |
CHEMBL2385408 |
OBDepict
CH
3
H
3
C
O
N
NH
F
F
F
O
H
3
C
F
N
H
S
O
O
CH
3
|
Ki |
= |
0.5 |
nM |
491.51 |
CC(C)COc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL2389489 |
cell-based format |
CHEMBL2442916 |
OBDepict
CH
3
S
N
NH
F
F
F
O
H
3
C
F
N
H
S
O
O
CH
3
|
Ki |
= |
0.5 |
nM |
547.64 |
CC1CCC(Sc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 |
Homo sapiens |
CHEMBL2446589 |
cell-based format |
CHEMBL4792344 |
OBDepict
O
N
H
HN
N
N
N
N
H
H
3
C
H
3
C
CH
3
Cl
F
|
Ki |
= |
0.5 |
nM |
440.91 |
CC(C)(C)c1cc(CNC(=O)Nc2cccc3[nH]ncc23)n(-c2ccc(F)c(Cl)c2)n1 |
Homo sapiens |
CHEMBL4702199 |
cell-based format |
CHEMBL4745407 |
OBDepict
O
N
H
HN
N
N
N
N
H
H
3
C
H
3
C
CH
3
F
F
|
Ki |
= |
0.5 |
nM |
424.45 |
CC(C)(C)c1cc(CNC(=O)Nc2cccc3[nH]ncc23)n(-c2ccc(F)c(F)c2)n1 |
Homo sapiens |
CHEMBL4702199 |
cell-based format |
CHEMBL3627951 |
OBDepict
H
3
C
N
H
O
F
N
H
S
S
O
O
CH
3
F
F
F
|
Ki |
= |
0.5 |
nM |
532.63 |
CC(C(=O)NCc1ccc(C(F)(F)F)cc1SC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3630759 |
cell-based format |
CHEMBL3319115 |
OBDepict
O
HN
H
3
C
F
N
NH
S
O
O
H
3
C
F
F
F
H
3
C
H
3
C
CH
3
|
Ki |
= |
0.5 |
nM |
551.61 |
CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3361606 |
cell-based format |
CHEMBL3627953 |
OBDepict
H
3
C
N
H
O
F
N
H
S
S
O
O
CH
3
F
F
F
|
Ki |
= |
0.5 |
nM |
540.6 |
CC(C(=O)NCc1ccc(C(F)(F)F)cc1SCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3630759 |
cell-based format |
CHEMBL3627940 |
OBDepict
H
3
C
CH
3
O
HN
F
F
F
O
CH
3
F
HN
S
O
O
H
3
C
|
Ki |
= |
0.5 |
nM |
504.55 |
CC(C)CCOc1cc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3630759 |
cell-based format |
CHEMBL3689038 |
OBDepict
H
3
C
N
H
O
F
N
H
N
S
N
O
O
CH
3
H
3
C
H
3
C
CH
3
Cl
F
|
Ki |
= |
0.5 |
nM |
525.02 |
CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(F)c(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3705875 |
cell-based format |
CHEMBL2385224 |
OBDepict
O
N
H
CH
3
F
O
N
HN
S
O
O
H
3
C
F
F
F
|
Ki |
= |
0.5 |
nM |
539.55 |
CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL2389489 |
cell-based format |
CHEMBL3319112 |
OBDepict
O
N
H
H
3
C
F
N
NH
S
O
O
H
3
C
F
F
F
Cl
|
Ki |
= |
0.5 |
nM |
529.94 |
CC(C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3361606 |
cell-based format |
CHEMBL2385223 |
OBDepict
O
N
H
CH
3
F
O
N
HN
S
O
O
H
3
C
F
F
F
|
Ki |
= |
0.5 |
nM |
525.52 |
CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL2389489 |
cell-based format |
CHEMBL2385413 |
OBDepict
CH
3
O
N
CH
3
HN
F
F
F
O
CH
3
F
HN
S
O
O
H
3
C
|
Ki |
= |
0.5 |
nM |
547.62 |
CCCCC(CCC)Oc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL2389489 |
cell-based format |
CHEMBL3627944 |
OBDepict
O
N
H
CH
3
F
O
HN
S
O
O
H
3
C
F
F
F
F
|
Ki |
= |
0.5 |
nM |
542.53 |
CC(C(=O)NCc1ccc(C(F)(F)F)cc1OCc1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3630759 |
cell-based format |
CHEMBL2385425 |
OBDepict
CH
3
O
N
N
H
F
F
F
O
H
3
C
F
N
H
S
O
O
CH
3
|
Ki |
= |
0.5 |
nM |
519.56 |
CCCCCCOc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL2389489 |
cell-based format |
CHEMBL3407760 |
OBDepict
O
HN
H
3
C
F
N
N
NH
S
O
O
H
3
C
Cl
F
F
|
Ki |
= |
0.5 |
nM |
533.02 |
CC(C(=O)NCc1ccc(C(F)(F)Cl)nc1N1CCCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3412242 |
cell-based format |
CHEMBL3393837 |
OBDepict
CH
3
N
N
HN
F
F
F
N
H
O
N
|
IC50 |
= |
0.55 |
nM |
443.47 |
CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3cnccc23)CC1 |
Homo sapiens |
CHEMBL3396783 |
single protein format |
CHEMBL3317497 |
OBDepict
O
N
H
CH
3
F
N
HN
S
O
O
H
3
C
F
F
F
CH
3
|
Ki |
= |
0.6 |
nM |
537.58 |
Cc1ccc(CCc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1 |
Homo sapiens |
CHEMBL3361606 |
cell-based format |
CHEMBL4763969 |
OBDepict
O
N
H
N
H
N
N
N
N
H
3
C
CH
3
H
3
C
CH
3
Cl
F
|
Ki |
= |
0.6 |
nM |
454.94 |
Cn1ncc2c(NC(=O)NCc3cc(C(C)(C)C)nn3-c3ccc(F)c(Cl)c3)cccc21 |
Homo sapiens |
CHEMBL4702199 |
cell-based format |
CHEMBL4093420 |
OBDepict
H
3
C
CH
3
O
HN
CH
3
CH
3
CH
3
O
CH
3
F
HN
S
O
O
H
3
C
|
Ki |
= |
0.6 |
nM |
492.66 |
CC(C)CCOc1cc(C(C)(C)C)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL4038710 |
cell-based format |
CHEMBL3407758 |
OBDepict
H
3
C
N
N
CH
3
HN
Cl
F
F
O
CH
3
F
NH
S
O
O
CH
3
|
Ki |
= |
0.6 |
nM |
535.03 |
CCCN(CCC)c1nc(C(F)(F)Cl)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3412242 |
cell-based format |
CHEMBL3629233 |
OBDepict
H
3
C
N
H
O
F
N
H
S
O
O
CH
3
F
F
F
Cl
F
|
Ki |
= |
0.6 |
nM |
546.95 |
CC(C(=O)NCc1ccc(C(F)(F)F)cc1-c1ccc(F)c(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3630759 |
cell-based format |
CHEMBL4756342 |
OBDepict
O
N
H
N
H
N
N
N
N
H
3
C
CH
3
H
3
C
CH
3
F
F
F
|
Ki |
= |
0.6 |
nM |
470.5 |
Cn1ncc2c(NC(=O)NCc3cc(C(C)(C)C)nn3-c3cccc(C(F)(F)F)c3)cccc21 |
Homo sapiens |
CHEMBL4702199 |
cell-based format |
CHEMBL3314389 |
OBDepict
O
N
H
CH
3
F
N
HN
S
O
O
H
3
C
F
F
F
|
Ki |
= |
0.6 |
nM |
501.55 |
CC(C(=O)NCc1ccc(C(F)(F)F)nc1C1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3373787 |
cell-based format |
CHEMBL4753881 |
OBDepict
O
N
H
HN
N
N
N
N
H
H
3
C
H
3
C
CH
3
Cl
|
Ki |
= |
0.6 |
nM |
422.92 |
CC(C)(C)c1cc(CNC(=O)Nc2cccc3[nH]ncc23)n(-c2cccc(Cl)c2)n1 |
Homo sapiens |
CHEMBL4702199 |
cell-based format |
CHEMBL4127673 |
OBDepict
CH
3
N
N
HN
F
F
F
O
CH
3
H
3
C
HN
S
O
O
H
3
C
|
Ki |
= |
0.6 |
nM |
512.6 |
Cc1cc(C(C)C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)ccc1NS(C)(=O)=O |
Homo sapiens |
CHEMBL4125101 |
cell-based format |
CHEMBL4070760 |
OBDepict
CH
3
H
3
C
O
N
NH
CH
3
CH
3
H
3
C
O
H
3
C
F
N
H
S
O
O
CH
3
|
Ki |
= |
0.6 |
nM |
479.62 |
CC(C)COc1nc(C(C)(C)C)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL4038710 |
cell-based format |
CHEMBL3314383 |
OBDepict
O
N
H
CH
3
F
N
HN
S
O
O
H
3
C
F
F
F
CH
3
CH
3
CH
3
|
Ki |
= |
0.6 |
nM |
503.56 |
CC(C(=O)NCc1ccc(C(F)(F)F)nc1CCC(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3373787 |
cell-based format |
CHEMBL3627941 |
OBDepict
O
HN
H
3
C
F
O
NH
S
O
O
H
3
C
F
F
F
|
Ki |
= |
0.6 |
nM |
502.53 |
CC(C(=O)NCc1ccc(C(F)(F)F)cc1OC1CCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3630759 |
cell-based format |
CHEMBL3629228 |
OBDepict
O
N
H
CH
3
F
HN
S
O
O
H
3
C
F
F
F
|
Ki |
= |
0.6 |
nM |
500.56 |
CC(C(=O)NCc1ccc(C(F)(F)F)cc1C1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3630759 |
cell-based format |
CHEMBL3407764 |
OBDepict
CH
3
H
3
C
O
N
NH
Cl
F
F
O
H
3
C
F
N
H
S
O
O
CH
3
|
Ki |
= |
0.6 |
nM |
507.96 |
CC(C)COc1nc(C(F)(F)Cl)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1 |
Homo sapiens |
CHEMBL3412242 |
cell-based format |
CHEMBL4763915 |
OBDepict
O
N
H
NH
N
N
N
N
H
F
F
F
Cl
F
|
Ki |
= |
0.6 |
nM |
452.8 |
O=C(NCc1cc(C(F)(F)F)nn1-c1ccc(F)c(Cl)c1)Nc1cccc2[nH]ncc12 |
Homo sapiens |
CHEMBL4702199 |
cell-based format |