molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3823599 |
|
IC50 |
= |
41.0 |
nM |
330.43 |
COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN(C)C |
Homo sapiens |
CHEMBL3826478 |
assay format |
CHEMBL4102050 |
OBDepict
N
S
HN
O
O
N
CH
3
CH
3
O
|
IC50 |
= |
82.0 |
nM |
353.4 |
Cc1cc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc2n(C)c1=O |
Homo sapiens |
CHEMBL4053002 |
assay format |
CHEMBL3824146 |
OBDepict
CH
3
O
N
O
CH
3
H
3
C
H
3
C
N
CH
3
O
|
IC50 |
= |
108.0 |
nM |
352.43 |
COc1cc(-c2cn(C)c(=O)c3ccccc23)cc(OC)c1CN(C)C |
Homo sapiens |
CHEMBL3826478 |
assay format |
CHEMBL3823478 |
OBDepict
CH
3
O
N
O
CH
3
H
3
C
H
3
C
N
CH
3
O
N
|
IC50 |
= |
117.0 |
nM |
353.42 |
COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)C |
Homo sapiens |
CHEMBL3826493 |
single protein format |
CHEMBL3752151 |
OBDepict
H
3
C
O
S
NH
O
O
N
H
3
C
CH
3
O
N
|
IC50 |
= |
140.0 |
nM |
383.43 |
COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C |
Homo sapiens |
CHEMBL4030900 |
assay format |
CHEMBL3824312 |
OBDepict
CH
3
O
N
O
CH
3
H
3
C
H
3
C
N
N
CH
3
O
N
|
IC50 |
= |
188.0 |
nM |
354.41 |
COc1cc(-c2cn(C)c(=O)c3cncnc23)cc(OC)c1CN(C)C |
Homo sapiens |
CHEMBL3826478 |
assay format |
CHEMBL3822990 |
OBDepict
CH
3
O
N
O
CH
3
H
3
C
H
3
C
N
CH
3
H
3
C
O
|
IC50 |
= |
230.0 |
nM |
316.4 |
COc1cc(-c2cc(C)c(=O)n(C)c2)cc(OC)c1CN(C)C |
Homo sapiens |
CHEMBL3826478 |
assay format |
CHEMBL3823697 |
OBDepict
CH
3
O
N
O
CH
3
H
3
C
H
3
C
CH
3
N
CH
3
H
3
C
O
|
IC50 |
= |
240.0 |
nM |
330.43 |
COc1cc(-c2cc(C)c(=O)n(C)c2C)cc(OC)c1CN(C)C |
Homo sapiens |
CHEMBL3826478 |
assay format |