molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1338248 |
|
Ki |
= |
65.3 |
nM |
527.56 |
CCCc1nn(C)c2c(O)nc(-c3cc(S(=O)(=O)Nc4ccc(O)c(C(=O)O)c4)ccc3OCC)nc12 |
Homo sapiens |
CHEMBL2049559 |
cell-based format |
CHEMBL2047880 |
OBDepict
CH
3
O
N
N
S
H
NH
O
O
HO
O
HO
O
N
N
CH
3
H
3
C
H
3
C
H
3
C
|
Ki |
= |
75.3 |
nM |
541.59 |
CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)cc1-c1nc2c(C(C)(C)C)nn(C)c2c(=O)[nH]1 |
Homo sapiens |
CHEMBL2049559 |
cell-based format |