molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3986058 |
|
IC50 |
< |
30.0 |
nM |
500.48 |
Cc1cccc(C)c1N1C[C@](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3901376 |
OBDepict
CH
2
N
H
3
C
O
CH
3
H
3
C
NH
O
F
F
F
F
F
F
|
IC50 |
<= |
30.0 |
nM |
512.49 |
C=CCc1cccc(C)c1N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3898603 |
OBDepict
O
N
CH
3
H
3
C
NH
O
CH
3
Br
F
F
F
F
F
F
|
IC50 |
<= |
30.0 |
nM |
551.33 |
Cc1cccc(Br)c1N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3941195 |
OBDepict
CH
3
N
H
3
C
N
N
H
O
H
CH
3
O
H
3
C
CH
3
F
F
F
F
F
F
|
IC50 |
<= |
30.0 |
nM |
515.5 |
Cc1cccc(C)c1N1C[C@@](CN(C)C)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3947272 |
OBDepict
H
3
C
N
NH
O
H
H
3
C
O
CH
3
CH
3
F
F
F
|
IC50 |
<= |
30.0 |
nM |
458.52 |
CC[C@@]1(C(=O)Nc2cc(C3CC3)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3890766 |
OBDepict
CH
3
H
2
C
N
N
H
O
O
H
3
C
CH
3
F
F
F
F
F
F
|
IC50 |
<= |
30.0 |
nM |
498.47 |
C=C(C)CC1(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)N(c2c(C)cccc2C)C1 |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3981730 |
OBDepict
N
NH
F
F
F
O
N
H
3
C
CH
3
O
H
3
C
CH
3
|
IC50 |
<= |
30.0 |
nM |
443.47 |
Cc1cccc(C)c1N1C[C@](C(=O)Nc2cc(C#N)cc(C(F)(F)F)c2)(C(C)C)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3933411 |
OBDepict
O
N
CH
3
H
3
C
N
H
O
CH
3
H
3
C
F
F
F
|
IC50 |
<= |
30.0 |
nM |
458.52 |
Cc1cccc(C)c1N1C[C@](C(=O)Nc2cc(C3CC3)cc(C(F)(F)F)c2)(C(C)C)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3914663 |
OBDepict
Br
NH
F
F
F
O
N
H
3
C
CH
3
O
H
3
C
CH
3
|
IC50 |
<= |
30.0 |
nM |
497.36 |
Cc1cccc(C)c1N1CC(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)(C(C)C)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3971028 |
OBDepict
CH
3
H
3
C
N
N
H
O
H
CH
3
O
H
3
C
CH
3
F
F
F
F
F
F
|
IC50 |
<= |
30.0 |
nM |
514.51 |
Cc1cccc(C)c1N1C[C@@](CC(C)C)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3982032 |
OBDepict
CH
3
N
N
H
O
H
CH
3
O
H
3
C
CH
3
CH
3
F
F
F
|
IC50 |
<= |
30.0 |
nM |
432.49 |
CC[C@@]1(C(=O)Nc2cc(C)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3918834 |
OBDepict
CH
3
CH
3
N
H
3
C
N
N
H
O
H
CH
3
O
CH
3
CH
3
F
F
F
F
F
F
|
IC50 |
<= |
30.0 |
nM |
557.58 |
Cc1cccc(C)c1N1C[C@@](CN(C)CC(C)C)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3938137 |
OBDepict
CH
3
N
N
H
O
H
CH
3
O
H
3
C
CH
3
F
F
F
F
F
F
|
IC50 |
<= |
30.0 |
nM |
514.51 |
CCCC[C@@]1(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3895593 |
OBDepict
CH
3
N
N
H
O
H
H
3
C
O
CH
3
H
3
C
O
F
F
F
|
IC50 |
<= |
30.0 |
nM |
488.55 |
CC[C@@]1(C(=O)Nc2cc(OC3CCC3)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3983634 |
OBDepict
CH
3
O
CH
3
HN
F
F
F
O
N
CH
3
CH
3
O
CH
3
H
3
C
|
IC50 |
<= |
30.0 |
nM |
476.54 |
Cc1cccc(C)c1N1C[C@](C(=O)Nc2cc(OC(C)C)cc(C(F)(F)F)c2)(C(C)C)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3933611 |
OBDepict
CH
3
N
NH
O
H
H
3
C
O
CH
3
H
3
C
O
F
F
F
|
IC50 |
<= |
30.0 |
nM |
502.58 |
CC[C@@]1(C(=O)Nc2cc(OC3CCCC3)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3930907 |
OBDepict
CH
3
N
N
H
O
O
H
3
C
CH
3
F
F
F
F
F
F
|
IC50 |
<= |
30.0 |
nM |
500.48 |
CCCCC1(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)N(c2c(C)cccc2C)C1 |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3949555 |
OBDepict
H
3
C
H
O
N
CH
3
N
H
O
H
3
C
CH
3
F
F
F
F
F
F
|
IC50 |
<= |
30.0 |
nM |
500.48 |
CC[C@@H]1C(=O)N(c2c(C)cccc2C)C[C@@]1(CC)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3947900 |
OBDepict
CH
3
CH
3
N
N
H
O
O
H
3
C
CH
3
F
F
F
F
F
F
|
IC50 |
<= |
30.0 |
nM |
514.51 |
Cc1cccc(C)c1N1CC(CCC(C)C)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3983300 |
OBDepict
H
3
C
N
HN
O
H
CH
3
O
CH
3
CH
3
N
F
F
F
F
F
F
|
IC50 |
<= |
30.0 |
nM |
569.59 |
CC[C@@]1(C(=O)Nc2cc(CN3CCCC3C(F)(F)F)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3909448 |
OBDepict
CH
3
O
NH
F
F
F
O
CH
3
N
H
CH
3
O
H
3
C
CH
3
|
IC50 |
< |
30.0 |
nM |
448.49 |
CC[C@@]1(C(=O)Nc2cc(OC)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3943092 |
OBDepict
O
N
H
3
C
N
H
O
CH
3
H
3
C
F
F
F
F
F
F
|
IC50 |
<= |
30.0 |
nM |
458.4 |
Cc1cccc(C)c1N1CC(C)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3956379 |
OBDepict
H
3
C
N
CH
3
CH
3
N
N
H
O
H
CH
3
O
H
3
C
CH
3
F
F
F
F
F
F
|
IC50 |
<= |
30.0 |
nM |
543.55 |
Cc1cccc(C)c1N1C[C@@](CN(C)C(C)C)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3895002 |
OBDepict
H
3
C
N
N
H
O
H
CH
3
O
CH
3
CH
3
N
F
F
F
|
IC50 |
< |
30.0 |
nM |
487.57 |
CC[C@@]1(C(=O)Nc2cc(N3CCCC3)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3982634 |
OBDepict
CH
3
O
N
H
3
C
N
N
H
O
H
H
3
C
O
H
3
C
H
3
C
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
559.55 |
COCCN(C)C[C@@]1(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3967873 |
OBDepict
N
HN
Cl
O
CH
3
N
H
H
3
C
O
CH
3
H
3
C
|
IC50 |
< |
30.0 |
nM |
409.92 |
CC[C@@]1(C(=O)Nc2cc(Cl)cc(C#N)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3934878 |
OBDepict
O
N
CH
3
H
3
C
H
F
NH
O
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
502.43 |
Cc1cccc(C)c1N1CC2(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@@H](F)CC2C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3967440 |
OBDepict
O
N
CH
3
H
3
C
N
NH
O
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
553.55 |
Cc1cccc(C)c1N1CC2(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC(N3CCCC3)CC2C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3920014 |
OBDepict
O
N
O
CH
3
H
3
C
NH
O
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
486.41 |
Cc1cccc(C)c1N1CC2(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)COCC2C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3951085 |
OBDepict
O
N
H
O
CH
3
H
3
C
NH
O
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
486.41 |
Cc1cccc(C)c1N1C[C@]2(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)OCC[C@@H]2C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3953770 |
OBDepict
CH
3
N
N
H
O
H
CH
3
O
H
3
C
CH
3
H
3
C
F
F
F
|
IC50 |
< |
30.0 |
nM |
432.49 |
CC[C@@]1(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3986203 |
OBDepict
OH
O
N
N
H
O
H
3
C
CH
3
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
500.44 |
Cc1cccc(C)c1N1CC2(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC(O)CC2C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3920639 |
OBDepict
O
N
H
N
O
CH
3
Cl
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
464.79 |
Cc1cccc(Cl)c1N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3964891 |
OBDepict
O
N
H
H
3
C
CH
3
H
3
C
N
N
H
O
F
F
F
F
F
F
F
F
|
IC50 |
<= |
30.0 |
nM |
591.54 |
Cc1cccc(C)c1N1C[C@@](CN2CCC(F)(F)CC2)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3969841 |
OBDepict
CH
3
N
O
N
H
O
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
444.38 |
CCc1ccccc1N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3967232 |
OBDepict
O
N
CH
3
H
3
C
N
H
O
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
498.47 |
Cc1cccc(C)c1N1CC2(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCCCC2C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3938817 |
OBDepict
Cl
N
H
F
F
F
O
N
O
CH
3
CH
3
|
IC50 |
< |
30.0 |
nM |
410.82 |
Cc1cccc(C)c1N1CC(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3937256 |
OBDepict
O
N
H
N
O
H
3
C
F
F
F
F
F
F
CH
3
|
IC50 |
< |
30.0 |
nM |
444.38 |
Cc1ccc(C)c(N2CC(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2=O)c1 |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3941764 |
OBDepict
O
N
H
N
O
H
3
C
F
F
F
F
F
F
CH
3
|
IC50 |
< |
30.0 |
nM |
444.38 |
Cc1ccc(N2CC(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2=O)c(C)c1 |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3951255 |
OBDepict
O
N
H
N
O
CH
3
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
430.35 |
Cc1ccccc1N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3987046 |
OBDepict
O
N
H
N
O
H
3
C
F
F
F
F
F
F
CH
3
|
IC50 |
< |
30.0 |
nM |
444.38 |
Cc1cccc(N2CC(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2=O)c1C |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3892026 |
OBDepict
N
N
H
F
F
F
O
N
O
CH
3
CH
3
|
IC50 |
< |
30.0 |
nM |
401.39 |
Cc1cccc(C)c1N1CC(C(=O)Nc2cc(C#N)cc(C(F)(F)F)c2)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3962670 |
OBDepict
O
N
H
N
O
F
F
F
F
F
F
CH
3
H
3
C
|
IC50 |
< |
30.0 |
nM |
458.4 |
CC(C)c1ccccc1N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3903711 |
OBDepict
O
HN
N
O
N
H
3
C
H
3
C
F
F
F
O
|
IC50 |
< |
30.0 |
nM |
461.48 |
Cc1cccc(C)c1N1CC(C(=O)Nc2cc(N3CCOCC3)cc(C(F)(F)F)c2)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3957569 |
OBDepict
F
N
CH
3
N
N
H
O
H
CH
3
O
CH
3
CH
3
F
F
F
F
F
F
|
IC50 |
<= |
30.0 |
nM |
547.52 |
Cc1cccc(C)c1N1C[C@@](CN(C)CCF)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3906443 |
OBDepict
O
HN
N
O
N
H
3
C
H
3
C
F
F
F
|
IC50 |
< |
30.0 |
nM |
459.51 |
Cc1cccc(C)c1N1CC(C(=O)Nc2cc(N3CCCCC3)cc(C(F)(F)F)c2)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3954172 |
OBDepict
O
HN
N
O
N
H
3
C
H
3
C
F
F
F
|
IC50 |
< |
30.0 |
nM |
445.49 |
Cc1cccc(C)c1N1CC(C(=O)Nc2cc(N3CCCC3)cc(C(F)(F)F)c2)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3923730 |
OBDepict
O
N
H
N
O
H
3
C
H
3
C
F
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
462.37 |
Cc1cc(F)cc(C)c1N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3974566 |
OBDepict
CH
3
O
N
H
F
F
F
O
N
O
CH
3
CH
3
|
IC50 |
< |
30.0 |
nM |
406.4 |
COc1cc(NC(=O)C2CC(=O)N(c3c(C)cccc3C)C2)cc(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3985206 |
OBDepict
H
3
C
N
H
3
C
N
HN
O
H
CH
3
O
CH
3
CH
3
F
F
F
|
IC50 |
< |
30.0 |
nM |
487.57 |
Cc1cccc(C)c1N1C[C@@](CN(C)C)(C(=O)Nc2cc(C3CC3)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3901895 |
OBDepict
N
HN
F
F
F
O
N
N
H
H
3
C
O
O
CH
3
H
3
C
|
IC50 |
< |
30.0 |
nM |
514.55 |
Cc1cccc(C)c1N1C[C@@](CN2CCOCC2)(C(=O)Nc2cc(C#N)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3891985 |
OBDepict
O
N
H
CH
3
CH
3
CH
3
N
N
H
O
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
527.51 |
Cc1cccc(C)c1N1C[C@@](CN2CCC2)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3953906 |
OBDepict
H
3
C
N
H
3
C
N
HN
O
H
CH
3
O
CH
3
CH
3
F
F
F
|
IC50 |
< |
30.0 |
nM |
501.59 |
CCN(C)C[C@@]1(C(=O)Nc2cc(C3CC3)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3982735 |
OBDepict
H
3
C
O
CH
3
N
H
F
F
F
O
N
N
H
H
3
C
CH
3
O
CH
3
H
3
C
|
IC50 |
< |
30.0 |
nM |
545.65 |
Cc1cccc(C)c1N1C[C@@](CN(C)C2CCC2)(C(=O)Nc2cc(OC(C)C)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3903276 |
OBDepict
F
NH
F
F
F
O
N
N
H
CH
3
O
N
H
3
C
CH
3
F
F
F
|
IC50 |
< |
30.0 |
nM |
588.57 |
Cc1cccc(C)c1N1C[C@@](CN2CCN(CC(F)(F)F)CC2)(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3955594 |
OBDepict
CH
3
N
H
3
C
N
N
H
O
H
CH
3
O
H
3
C
CH
3
N
F
F
F
|
IC50 |
<= |
30.0 |
nM |
486.54 |
CCN(C)C[C@@]1(C(=O)Nc2cc(C#N)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3894891 |
OBDepict
CH
3
N
N
N
H
O
H
H
3
C
O
H
3
C
H
3
C
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
569.59 |
Cc1cccc(C)c1N1C[C@@](CN(C)CC2CCC2)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3969571 |
OBDepict
OH
N
CH
3
H
3
C
H
3
C
N
N
H
O
H
CH
3
O
H
3
C
CH
3
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
573.58 |
Cc1cccc(C)c1N1C[C@@](CN(C)C(C)(C)CO)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3944191 |
OBDepict
F
HN
F
F
F
O
N
N
H
H
3
C
O
CH
3
H
3
C
F
F
|
IC50 |
< |
30.0 |
nM |
541.54 |
Cc1cccc(C)c1N1C[C@@](CN2CCC(F)(F)CC2)(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3946819 |
OBDepict
CH
3
O
N
H
3
C
N
N
H
O
H
CH
3
O
H
3
C
CH
3
N
F
F
F
|
IC50 |
< |
30.0 |
nM |
516.56 |
COCCN(C)C[C@@]1(C(=O)Nc2cc(C#N)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3910762 |
OBDepict
CH
3
HN
F
F
F
O
N
N
H
H
3
C
O
CH
3
H
3
C
F
F
|
IC50 |
< |
30.0 |
nM |
551.6 |
CCc1cc(NC(=O)[C@]2(CN3CCC(F)(F)CC3)CN(c3c(C)cccc3C)C(=O)[C@H]2C)cc(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3922201 |
OBDepict
O
N
H
H
3
C
CH
3
H
3
C
N
N
H
O
F
F
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
591.54 |
Cc1cccc(C)c1N1C[C@@](CN2CCCC(F)(F)C2)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3921777 |
OBDepict
Cl
HN
F
F
F
O
N
N
H
H
3
C
O
CH
3
H
3
C
F
F
|
IC50 |
< |
30.0 |
nM |
557.99 |
Cc1cccc(C)c1N1C[C@@](CN2CCC(F)(F)CC2)(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3935373 |
OBDepict
N
HN
F
F
F
O
N
N
H
CH
3
H
3
C
O
CH
3
CH
3
|
IC50 |
< |
30.0 |
nM |
512.58 |
Cc1cccc(C)c1N1C[C@@](CN(C)CC2CC2)(C(=O)Nc2cc(C#N)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3960811 |
OBDepict
O
N
H
H
3
C
CH
3
H
3
C
N
N
H
O
H
H
3
C
O
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
571.56 |
Cc1cccc(C)c1N1C[C@@](CN2CCOC[C@H]2C)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3897656 |
OBDepict
O
N
H
H
3
C
CH
3
H
3
C
NH
O
O
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
542.52 |
Cc1cccc(C)c1N1C[C@](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C2CCOCC2)[C@@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3956087 |
OBDepict
N
NH
F
F
F
O
N
N
H
CH
3
CH
3
H
3
C
O
H
3
C
CH
3
|
IC50 |
<= |
30.0 |
nM |
472.51 |
Cc1cccc(C)c1N1C[C@@](CN(C)C)(C(=O)Nc2cc(C#N)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3923333 |
OBDepict
CH
3
N
CH
3
N
N
H
O
H
H
3
C
O
H
3
C
CH
3
O
F
F
F
CH
3
CH
3
|
IC50 |
< |
30.0 |
nM |
533.64 |
CCN(CC)C[C@@]1(C(=O)Nc2cc(OC(C)C)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3969185 |
OBDepict
CH
3
N
CH
3
N
N
H
O
H
CH
3
O
H
3
C
CH
3
Cl
F
F
F
|
IC50 |
< |
30.0 |
nM |
510.0 |
CCN(CC)C[C@@]1(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3921582 |
OBDepict
H
3
C
CH
3
N
CH
3
N
NH
O
H
H
3
C
O
H
3
C
H
3
C
F
F
F
|
IC50 |
< |
30.0 |
nM |
529.65 |
Cc1cccc(C)c1N1C[C@@](CN(C)CC(C)C)(C(=O)Nc2cc(C3CC3)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3911691 |
OBDepict
N
HN
F
F
F
O
N
N
H
H
3
C
O
O
H
H
3
C
CH
3
H
3
C
|
IC50 |
< |
30.0 |
nM |
528.58 |
Cc1cccc(C)c1N1C[C@@](CN2CCO[C@H](C)C2)(C(=O)Nc2cc(C#N)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3985838 |
OBDepict
N
HN
F
F
F
O
N
N
H
H
3
C
O
H
3
C
H
3
C
|
IC50 |
< |
30.0 |
nM |
484.52 |
Cc1cccc(C)c1N1C[C@@](CN2CCC2)(C(=O)Nc2cc(C#N)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3916060 |
OBDepict
N
HN
F
F
F
O
N
N
H
H
3
C
O
CH
3
H
3
C
F
F
|
IC50 |
< |
30.0 |
nM |
548.56 |
Cc1cccc(C)c1N1C[C@@](CN2CCC(F)(F)CC2)(C(=O)Nc2cc(C#N)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3958224 |
OBDepict
O
N
H
H
3
C
CH
3
H
3
C
N
N
H
O
F
F
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
577.52 |
Cc1cccc(C)c1N1C[C@@](CN2CCC(F)(F)C2)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3896492 |
OBDepict
CH
3
N
H
3
C
O
H
H
3
C
N
N
H
O
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
549.58 |
Cc1cccc(C)c1N1C[C@@](CN2CCC(F)(F)C2)(C(=O)Nc2cc(C3CC3)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3899166 |
OBDepict
CH
3
N
H
3
C
H
3
C
N
HN
O
H
CH
3
O
CH
3
CH
3
F
F
F
|
IC50 |
< |
30.0 |
nM |
515.62 |
Cc1cccc(C)c1N1C[C@@](CN(C)C(C)C)(C(=O)Nc2cc(C3CC3)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3906401 |
OBDepict
F
N
N
N
H
O
H
CH
3
O
H
3
C
CH
3
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
573.55 |
Cc1cccc(C)c1N1C[C@@](CN2CCC(F)CC2)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3903642 |
OBDepict
N
HN
F
F
F
O
N
N
H
H
3
C
O
CH
3
H
3
C
|
IC50 |
<= |
30.0 |
nM |
512.58 |
Cc1cccc(C)c1N1C[C@@](CN2CCCCC2)(C(=O)Nc2cc(C#N)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3909206 |
OBDepict
CH
3
N
CH
3
O
H
CH
3
N
N
H
O
O
F
F
F
|
IC50 |
< |
30.0 |
nM |
529.6 |
Cc1cccc(C)c1N1C[C@@](CN2CCOCC2)(C(=O)Nc2cc(C3CC3)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3944422 |
OBDepict
CH
3
N
CH
3
O
H
CH
3
N
N
H
O
F
F
F
|
IC50 |
< |
30.0 |
nM |
527.63 |
Cc1cccc(C)c1N1C[C@@](CN2CCCCC2)(C(=O)Nc2cc(C3CC3)cc(C(F)(F)F)c2)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3926100 |
OBDepict
H
3
C
O
N
N
N
H
O
H
H
3
C
O
CH
3
H
3
C
N
F
F
F
|
IC50 |
< |
30.0 |
nM |
542.6 |
COC1CCN(C[C@@]2(C(=O)Nc3cc(C#N)cc(C(F)(F)F)c3)CN(c3c(C)cccc3C)C(=O)[C@H]2C)CC1 |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3958290 |
OBDepict
O
N
H
N
O
Cl
Cl
H
3
C
H
3
C
|
IC50 |
< |
30.0 |
nM |
377.27 |
Cc1cccc(C)c1N1CC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3911048 |
OBDepict
H
3
C
O
O
N
H
F
F
F
O
N
O
H
3
C
H
3
C
|
IC50 |
< |
30.0 |
nM |
434.41 |
COC(=O)c1cc(NC(=O)C2CC(=O)N(c3c(C)cccc3C)C2)cc(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3951472 |
OBDepict
O
N
H
3
C
CH
3
HN
O
Cl
F
F
F
|
IC50 |
< |
30.0 |
nM |
464.92 |
CC(C)C1(C(=O)Nc2cc(C3CC3)cc(C(F)(F)F)c2)CC(=O)N(c2ccccc2Cl)C1 |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3895675 |
OBDepict
O
N
H
3
C
CH
3
N
H
O
CH
3
F
F
F
|
IC50 |
< |
30.0 |
nM |
444.5 |
Cc1ccccc1N1CC(C(=O)Nc2cc(C3CC3)cc(C(F)(F)F)c2)(C(C)C)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3905376 |
OBDepict
CH
3
N
N
H
O
H
CH
3
O
H
3
C
CH
3
N
H
3
C
CH
3
F
F
F
|
IC50 |
< |
30.0 |
nM |
461.53 |
CC[C@@]1(C(=O)Nc2cc(N(C)C)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3897531 |
OBDepict
O
N
N
H
O
CH
3
H
3
C
N
N
H
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
524.47 |
Cc1cccc(C)c1N1CC(Cc2ncc[nH]2)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3954815 |
OBDepict
CH
3
N
O
CH
3
H
3
C
N
H
O
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
498.47 |
C/C=C/c1ccccc1N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3899090 |
OBDepict
CH
3
N
CH
3
N
N
H
O
H
CH
3
O
H
3
C
CH
3
N
F
F
F
|
IC50 |
<= |
30.0 |
nM |
500.57 |
CCN(CC)C[C@@]1(C(=O)Nc2cc(C#N)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3924365 |
OBDepict
O
N
H
3
C
CH
3
N
H
O
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
498.47 |
CC(C)C1(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)N(c2ccccc2C2CC2)C1 |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3903135 |
OBDepict
O
N
H
3
C
H
3
C
NH
O
CH
3
N
O
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
571.56 |
Cc1cccc(CN2CCOCC2)c1N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3928096 |
OBDepict
CH
3
O
N
H
3
C
O
CH
3
H
3
C
NH
O
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
516.48 |
COCc1cccc(C)c1N1C[C@](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3934117 |
OBDepict
CH
2
N
O
CH
3
H
3
C
NH
O
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
484.44 |
C=Cc1ccccc1N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3972858 |
OBDepict
CH
3
N
N
H
O
H
CH
3
O
H
3
C
CH
3
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
436.45 |
CC[C@@]1(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3961939 |
OBDepict
CH
3
NH
H
3
C
NH
F
F
F
O
N
H
3
C
CH
3
H
CH
3
O
H
3
C
CH
3
|
IC50 |
< |
30.0 |
nM |
489.58 |
Cc1cccc(C)c1N1C[C@](C(=O)Nc2cc(NC(C)C)cc(C(F)(F)F)c2)(C(C)C)[C@H](C)C1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3920550 |
OBDepict
O
N
H
3
C
CH
3
N
H
O
Cl
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
492.85 |
CC(C)C1(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)N(c2ccccc2Cl)C1 |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3915161 |
OBDepict
CH
3
O
NH
F
F
F
O
CH
3
N
H
CH
3
O
H
3
C
CH
3
|
IC50 |
< |
30.0 |
nM |
462.51 |
CCOc1cc(NC(=O)[C@]2(CC)CN(c3c(C)cccc3C)C(=O)[C@H]2C)cc(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3986493 |
OBDepict
CH
2
N
O
CH
3
H
3
C
NH
O
F
F
F
F
F
F
|
IC50 |
< |
30.0 |
nM |
498.47 |
C=CCc1ccccc1N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3904201 |
OBDepict
CH
3
O
N
H
3
C
O
N
H
O
F
F
|
IC50 |
< |
30.0 |
nM |
360.36 |
COc1cccc(C)c1N1CC(C(=O)Nc2cc(F)cc(F)c2)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |
CHEMBL3904415 |
OBDepict
O
N
N
NH
O
CH
3
H
3
C
F
F
F
|
IC50 |
<= |
30.0 |
nM |
499.58 |
Cc1cccc(C)c1N1CC(CN2CCCC2)(C(=O)Nc2cc(C3CC3)cc(C(F)(F)F)c2)CC1=O |
Homo sapiens |
CHEMBL3880333 |
cell-based format |