molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1160244 |
|
IC50 |
= |
4.5 |
nM |
502.51 |
N=C(N)NCCC[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL645582 |
single protein format |
CHEMBL434782 |
OBDepict
NH
2
N
H
NH
NH
2
H
O
P
O
O
OH
H
O
H
OH
H
N
H
HO
N
N
N
H
2
N
|
IC50 |
= |
7.5 |
nM |
489.43 |
N=C(N)NCCC[C@H](N)COP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL645582 |
single protein format |