molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4579601 |
|
IC50 |
= |
43.0 |
nM |
315.33 |
O=[N+]([O-])c1ccc2c(c1)C(=Cc1ccccc1O)c1ccccc1-2 |
Homo sapiens |
CHEMBL4366071 |
single protein format |
CHEMBL4868313 |
OBDepict
OH
+
N
O
_
O
|
Ki |
= |
43.0 |
nM |
315.33 |
O=[N+]([O-])c1ccc2c(c1)/C(=C/c1ccccc1O)c1ccccc1-2 |
Homo sapiens |
CHEMBL4821557 |
single protein format |
CHEMBL4790235 |
OBDepict
O
N
N
N
S
N
N
H
N
S
|
IC50 |
= |
250.0 |
nM |
430.52 |
O=C1/C(=NNc2nccs2)C(c2ccccc2)=NN1c1nc(-c2ccccc2)cs1 |
Homo sapiens |
CHEMBL4671937 |
single protein format |
CHEMBL3417402 |
OBDepict
H
3
C
O
N
H
N
CH
3
N
O
N
OH
N
CH
3
H
3
C
|
Ki |
= |
800.0 |
nM |
457.53 |
CCOc1ccccc1N/N=C1C(=O)N(c2cc(O)cc(-c3ccc(N(C)C)cc3)c2)N=C1C |
Homo sapiens |
CHEMBL3417877 |
assay format |
CHEMBL3417409 |
OBDepict
OH
N
N
O
H
3
C
N
N
H
N
CH
3
H
3
C
|
Ki |
= |
1000.0 |
nM |
463.54 |
CC1=NN(c2cc(O)cc(-c3ccc(N(C)C)cc3)c2)C(=O)/C1=NNc1ccc2ccccc2c1 |
Homo sapiens |
CHEMBL3417877 |
assay format |