molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3629576 |
|
IC50 |
= |
30.0 |
nM |
589.09 |
CC(=O)c1ccc(OC(C)C)c(-n2c(CN3CCN(C(=O)COc4ccc(Cl)cc4)CC3)nc3ccccc3c2=O)c1 |
Homo sapiens |
CHEMBL3631402 |
cell-based format |
CHEMBL3629575 |
OBDepict
O
N
O
N
O
CH
3
CH
3
N
N
O
O
Cl
|
IC50 |
= |
60.0 |
nM |
575.07 |
CC(C)Oc1ccc(C=O)cc1-n1c(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc2c1=O |
Homo sapiens |
CHEMBL3631402 |
cell-based format |
CHEMBL421 |
OBDepict
HO
O
HO
N
N
S
HN
O
O
N
|
IC50 |
= |
160.0 |
nM |
398.4 |
O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O |
Homo sapiens |
CHEMBL4331195 |
single protein format |
CHEMBL401989 |
OBDepict
CH
3
O
N
N
O
N
CH
3
N
O
O
Cl
|
IC50 |
= |
200.0 |
nM |
547.06 |
CCOc1ccccc1-n1c(C(C)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc2c1=O |
Homo sapiens |
CHEMBL3631402 |
cell-based format |