molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2089255 |
|
IC50 |
= |
6.4 |
nM |
324.39 |
CC(C)(C)Nc1nc(Nc2ccc(C(N)=O)cc2)cc(N)c1C#N |
Homo sapiens |
CHEMBL2089872 |
single protein format |
CHEMBL2089254 |
OBDepict
H
3
C
O
N
N
H
N
NH
2
O
H
2
N
|
IC50 |
= |
37.0 |
nM |
297.32 |
CCOc1nc(Nc2ccc(C(N)=O)cc2)cc(N)c1C#N |
Homo sapiens |
CHEMBL2089872 |
single protein format |
CHEMBL2089253 |
OBDepict
H
3
C
O
N
N
H
N
NH
2
|
IC50 |
= |
228.0 |
nM |
254.29 |
CCOc1nc(Nc2ccccc2)cc(N)c1C#N |
Homo sapiens |
CHEMBL2089872 |
single protein format |
CHEMBL211195 |
OBDepict
H
3
C
O
N
N
NH
2
HN
O
|
IC50 |
= |
529.0 |
nM |
296.33 |
CCOc1nc(C(=O)NCc2ccccc2)cc(N)c1C#N |
Homo sapiens |
CHEMBL2089872 |
single protein format |
CHEMBL424872 |
OBDepict
H
3
C
O
N
N
H
2
N
N
H
O
S
O
O
CH
3
|
IC50 |
= |
568.0 |
nM |
374.42 |
CCOc1nc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc(N)c1C#N |
Homo sapiens |
CHEMBL2089872 |
single protein format |