molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2322194 |
|
IC50 |
= |
4.7 |
nM |
445.55 |
NS(=O)(=O)OC[C@@H]1C[C@@H](N2CCc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O |
Homo sapiens |
CHEMBL2328919 |
single protein format |
CHEMBL2017005 |
OBDepict
NH
2
S
O
O
O
H
O
H
OH
H
N
H
HO
N
N
N
N
H
H
|
IC50 |
= |
10.0 |
nM |
462.49 |
NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL2328930 |
single protein format |
CHEMBL1231160 |
OBDepict
NH
2
S
O
O
O
H
H
OH
H
N
N
N
N
H
H
|
IC50 |
= |
180.0 |
nM |
443.53 |
NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O |
Homo sapiens |
CHEMBL4733963 |
single protein format |
CHEMBL4282603 |
OBDepict
NH
2
S
O
O
O
H
H
OH
H
N
N
N
N
H
H
|
IC50 |
= |
260.0 |
nM |
443.53 |
NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@@H]4CCc5ccccc54)ncnc32)C[C@@H]1O |
Homo sapiens |
CHEMBL4830933 |
single protein format |
CHEMBL2322197 |
OBDepict
O
HN
O
N
H
O
N
O
N
O
OH
|
IC50 |
= |
800.0 |
nM |
374.35 |
O=C(O)CNC(=O)CNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 |
Homo sapiens |
CHEMBL2328914 |
single protein format |