molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL388978 |
|
IC50 |
= |
15.6 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328657 |
single protein format |
CHEMBL4782804 |
OBDepict
CH
2
HN
O
HN
O
N
H
O
N
N
H
N
|
IC50 |
= |
57.0 |
nM |
452.47 |
C=CC(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)cc2)c1 |
Homo sapiens |
CHEMBL4731590 |
assay format |
CHEMBL4871593 |
OBDepict
CH
2
N
N
O
N
N
N
N
H
OH
CH
3
N
N
H
3
C
|
IC50 |
= |
59.0 |
nM |
526.65 |
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2c(n1)C(O)(CC)CC2 |
Homo sapiens |
CHEMBL4844331 |
single protein format |