molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4750435 |
|
IC50 |
= |
130.0 |
nM |
488.5 |
COc1ccc(-n2cc(-c3ccc4ccc(=O)oc4c3)c3cc(-c4ccc(C(=O)O)cc4)cnc32)cc1 |
Homo sapiens |
CHEMBL4712047 |
single protein format |
CHEMBL1672291 |
OBDepict
OH
O
O
S
O
N
N
CH
3
O
O
Cl
H
3
C
CH
3
|
Ki |
= |
690.0 |
nM |
527.0 |
CC1=C(C(=O)OC(C)C)C(c2ccc(Cl)cc2)n2c(s/c(=Cc3ccc(OCC(=O)O)cc3)c2=O)=N1 |
Homo sapiens |
CHEMBL1679238 |
assay format |
CHEMBL584481 |
OBDepict
S
S
N
O
S
O
O
HO
N
N
O
F
|
IC50 |
= |
870.0 |
nM |
595.7 |
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)SC(=S)N1CCS(=O)(=O)O |
Homo sapiens |
CHEMBL1047963 |
single protein format |
CHEMBL1672291 |
OBDepict
OH
O
O
S
O
N
N
CH
3
O
O
Cl
H
3
C
CH
3
|
IC50 |
= |
1000.0 |
nM |
527.0 |
CC1=C(C(=O)OC(C)C)C(c2ccc(Cl)cc2)n2c(s/c(=Cc3ccc(OCC(=O)O)cc3)c2=O)=N1 |
Homo sapiens |
CHEMBL1679227 |
assay format |