molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4296718 |
|
IC50 |
= |
130.0 |
nM |
357.42 |
Cn1cc(CCn2cnc(-c3cnn(C)c3)c2-c2ccc(C#N)cc2)cn1 |
Homo sapiens |
CHEMBL3419224 |
single protein format |
CHEMBL3770199 |
OBDepict
O
O
N
H
CH
3
H
3
C
CH
3
N
O
H
3
C
S
O
O
H
3
C
|
IC50 |
= |
160.0 |
nM |
442.54 |
CC(=O)c1cc(-c2ccccc2S(C)(=O)=O)c2cc(CNC(=O)OC(C)(C)C)ccn12 |
Homo sapiens |
CHEMBL3772735 |
assay format |
CHEMBL3739699 |
OBDepict
CH
3
O
N
O
H
3
C
S
O
O
CH
3
|
IC50 |
= |
400.0 |
nM |
371.46 |
CCCOc1ccn2c(C(C)=O)cc(-c3ccccc3S(C)(=O)=O)c2c1 |
Homo sapiens |
CHEMBL3772735 |
assay format |
CHEMBL3415185 |
OBDepict
N
F
N
N
N
N
N
N
N
CH
3
H
3
C
|
IC50 |
= |
450.0 |
nM |
362.37 |
Cc1cn(Cn2cnc(-c3cnn(C)c3)c2-c2ccc(C#N)c(F)c2)nn1 |
Homo sapiens |
CHEMBL3419224 |
single protein format |
CHEMBL3770277 |
OBDepict
H
3
C
O
N
S
O
O
O
CH
3
|
IC50 |
= |
550.0 |
nM |
405.48 |
CC(=O)c1cc(-c2ccccc2S(C)(=O)=O)c2cc(Oc3ccccc3)ccn12 |
Homo sapiens |
CHEMBL3772735 |
assay format |
CHEMBL3770214 |
OBDepict
H
3
C
O
N
O
H
3
C
S
O
O
CH
3
|
IC50 |
= |
580.0 |
nM |
343.4 |
COc1ccn2c(C(C)=O)cc(-c3ccccc3S(C)(=O)=O)c2c1 |
Homo sapiens |
CHEMBL3772735 |
assay format |
CHEMBL3415182 |
OBDepict
N
N
N
N
N
N
N
H
3
C
N
CH
3
|
IC50 |
= |
600.0 |
nM |
358.41 |
Cc1cn(CCn2cnc(-c3cnn(C)c3)c2-c2ccc(C#N)cc2)nn1 |
Homo sapiens |
CHEMBL3419224 |
single protein format |
CHEMBL3770847 |
OBDepict
CH
3
O
N
S
O
O
H
3
C
|
IC50 |
= |
720.0 |
nM |
313.38 |
CC(=O)c1cc(-c2ccccc2S(C)(=O)=O)c2ccccn12 |
Homo sapiens |
CHEMBL3772735 |
assay format |
CHEMBL4436408 |
OBDepict
H
3
C
N
CH
3
O
N
CH
3
N
O
H
|
IC50 |
= |
880.0 |
nM |
295.34 |
CN(C)C(=O)c1cccc(-c2cn(C)c(=O)c3[nH]ccc23)c1 |
Homo sapiens |
CHEMBL4425869 |
assay format |
CHEMBL3770738 |
OBDepict
CH
3
N
O
H
3
C
S
O
O
H
3
C
|
IC50 |
= |
890.0 |
nM |
327.41 |
CC(=O)c1cc(-c2ccccc2S(C)(=O)=O)c2cc(C)ccn12 |
Homo sapiens |
CHEMBL3772735 |
assay format |
CHEMBL3771216 |
OBDepict
OH
N
O
H
3
C
CH
3
|
IC50 |
= |
1000.0 |
nM |
279.34 |
CC(=O)c1cc(-c2ccccc2CO)c2cc(C)ccn12 |
Homo sapiens |
CHEMBL3772735 |
assay format |