molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL57818 |
|
IC50 |
= |
130.0 |
nM |
251.25 |
NC1=CC(=O)c2ccc(-c3ccccn3)nc2C1=O |
Homo sapiens |
CHEMBL3119093 |
single protein format |
CHEMBL60908 |
OBDepict
O
NH
2
N
O
|
IC50 |
= |
170.0 |
nM |
174.16 |
NC1=CC(=O)c2cccnc2C1=O |
Homo sapiens |
CHEMBL3119093 |
single protein format |
CHEMBL3113470 |
OBDepict
H
2
N
O
Br
N
O
|
IC50 |
= |
390.0 |
nM |
253.06 |
NC1=C(Br)C(=O)c2cccnc2C1=O |
Homo sapiens |
CHEMBL3119093 |
single protein format |
CHEMBL11417 |
OBDepict
CH
3
O
H
2
N
O
O
N
N
NH
2
O
HO
CH
3
HO
O
O
CH
3
CH
3
|
IC50 |
= |
430.0 |
nM |
506.47 |
COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O |
Homo sapiens |
CHEMBL3119093 |
single protein format |
CHEMBL1910971 |
OBDepict
OH
O
F
F
F
Cl
HN
NH
NH
H
O
NH
2
O
O
OH
|
IC50 |
= |
690.0 |
nM |
468.82 |
N=C(CCl)NCCC[C@H](NC(=O)c1ccccc1C(=O)O)C(N)=O.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL1914014 |
single protein format |
CHEMBL58150 |
OBDepict
NH
2
O
O
N
N
O
HO
|
IC50 |
= |
710.0 |
nM |
295.25 |
NC1=CC(=O)c2ccc(-c3cccc(C(=O)O)n3)nc2C1=O |
Homo sapiens |
CHEMBL3119093 |
single protein format |