molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL388978 |
|
IC50 |
= |
5.96 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328438 |
single protein format |
CHEMBL4877302 |
OBDepict
CH
3
O
N
NH
N
N
H
N
N
H
H
3
C
O
H
3
C
Cl
|
IC50 |
= |
6.4 |
nM |
438.92 |
CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(OC)c23)n[nH]1 |
Homo sapiens |
CHEMBL4810445 |
single protein format |
CHEMBL4854871 |
OBDepict
CH
3
O
N
N
H
N
NH
N
N
CH
3
H
H
N
CH
3
F
|
IC50 |
= |
15.0 |
nM |
407.45 |
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1 |
Homo sapiens |
CHEMBL4810445 |
single protein format |
CHEMBL4847703 |
OBDepict
CH
3
O
N
NH
N
N
H
N
N
H
N
H
3
C
F
|
IC50 |
= |
36.0 |
nM |
393.43 |
CCc1cc(Nc2nc(NCc3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1 |
Homo sapiens |
CHEMBL4810445 |
single protein format |
CHEMBL60254 |
OBDepict
OH
HN
O
H
N
H
H
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
180.0 |
nM |
550.52 |
O=C(N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL1106961 |
single protein format |