molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL139 |
|
IC50 |
= |
8.0 |
nM |
296.15 |
O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL1052371 |
single protein format |
CHEMBL427739 |
OBDepict
OH
O
N
H
F
|
IC50 |
= |
9.0 |
nM |
245.25 |
O=C(O)Cc1ccccc1Nc1ccccc1F |
Homo sapiens |
CHEMBL1052371 |
single protein format |
CHEMBL570538 |
OBDepict
HO
O
CH
3
N
H
Cl
Cl
|
IC50 |
= |
10.0 |
nM |
310.18 |
CC(C(=O)O)c1ccccc1Nc1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL1052371 |
single protein format |
CHEMBL553416 |
OBDepict
H
2
N
O
CH
3
N
H
Cl
Cl
|
IC50 |
= |
12.0 |
nM |
309.2 |
CC(C(N)=O)c1ccccc1Nc1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL1052371 |
single protein format |
CHEMBL549974 |
OBDepict
O
N
H
H
3
C
S
O
O
CH
3
N
H
Cl
Cl
|
IC50 |
= |
13.0 |
nM |
387.29 |
CC(C(=O)NS(C)(=O)=O)c1ccccc1Nc1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL1052371 |
single protein format |
CHEMBL29804 |
OBDepict
OH
O
O
F
|
IC50 |
= |
13.0 |
nM |
246.24 |
O=C(O)Cc1ccccc1Oc1ccccc1F |
Homo sapiens |
CHEMBL1052371 |
single protein format |
CHEMBL372052 |
OBDepict
OH
O
H
3
C
H
O
|
IC50 |
= |
20.0 |
nM |
254.29 |
C[C@@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1 |
Homo sapiens |
CHEMBL1052371 |
single protein format |
CHEMBL552258 |
OBDepict
OH
NH
O
H
3
C
N
H
Cl
Cl
|
IC50 |
= |
20.0 |
nM |
353.25 |
CC(C(=O)NCCO)c1ccccc1Nc1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL1052371 |
single protein format |
CHEMBL77981 |
OBDepict
OH
O
N
H
Cl
Cl
|
IC50 |
= |
25.0 |
nM |
296.15 |
O=C(O)Cc1ccccc1Nc1cc(Cl)ccc1Cl |
Homo sapiens |
CHEMBL1052371 |
single protein format |
CHEMBL569366 |
OBDepict
CH
3
N
CH
3
HN
O
CH
3
N
H
Cl
Cl
|
IC50 |
= |
25.0 |
nM |
394.35 |
CC(C(=O)NCCCN(C)C)c1ccccc1Nc1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL1052371 |
single protein format |
CHEMBL6 |
OBDepict
H
3
C
O
N
CH
3
O
O
OH
Cl
|
IC50 |
= |
50.0 |
nM |
357.79 |
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL1052371 |
single protein format |
CHEMBL549973 |
OBDepict
O
HN
S
O
O
CH
3
O
F
|
IC50 |
= |
50.0 |
nM |
323.35 |
CS(=O)(=O)NC(=O)Cc1ccccc1Oc1ccccc1F |
Homo sapiens |
CHEMBL1052371 |
single protein format |
CHEMBL427526 |
OBDepict
CH
3
CH
3
CH
3
H
O
HO
|
IC50 |
= |
50.0 |
nM |
206.28 |
CC(C)Cc1ccc([C@@H](C)C(=O)O)cc1 |
Homo sapiens |
CHEMBL1052371 |
single protein format |
CHEMBL1020 |
OBDepict
OH
O
N
H
3
C
O
H
3
C
|
IC50 |
= |
90.0 |
nM |
257.29 |
Cc1ccc(C(=O)c2ccc(CC(=O)O)n2C)cc1 |
Homo sapiens |
CHEMBL1052371 |
single protein format |
CHEMBL77823 |
OBDepict
OH
O
N
H
Cl
|
IC50 |
= |
400.0 |
nM |
261.71 |
O=C(O)Cc1ccccc1Nc1ccccc1Cl |
Homo sapiens |
CHEMBL1052371 |
single protein format |
CHEMBL30038 |
OBDepict
OH
O
O
Cl
|
IC50 |
= |
500.0 |
nM |
262.69 |
O=C(O)Cc1ccccc1Oc1ccccc1Cl |
Homo sapiens |
CHEMBL1052371 |
single protein format |
CHEMBL541236 |
OBDepict
OH
O
N
H
Cl
Cl
CH
3
|
IC50 |
= |
500.0 |
nM |
310.18 |
Cc1ccc(Cl)c(Nc2ccccc2CC(=O)O)c1Cl |
Homo sapiens |
CHEMBL1052371 |
single protein format |
CHEMBL559389 |
OBDepict
H
3
C
N
H
O
N
H
H
3
C
CH
3
Cl
Cl
|
IC50 |
= |
600.0 |
nM |
413.35 |
Cc1cccc(C)c1NC(=O)C(C)c1ccccc1Nc1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL1052371 |
single protein format |
CHEMBL549975 |
OBDepict
O
NH
H
3
C
H
3
C
CH
3
H
3
C
N
H
Cl
Cl
|
IC50 |
= |
650.0 |
nM |
365.3 |
CC(C(=O)NC(C)(C)C)c1ccccc1Nc1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL1052371 |
single protein format |