molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL122 |
|
IC50 |
= |
20.0 |
nM |
314.36 |
CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 |
Homo sapiens |
CHEMBL4363182 |
single protein format |
CHEMBL254418 |
OBDepict
HO
NH
S
O
O
CH
3
O
N
OH
2
|
IC50 |
= |
40.0 |
nM |
348.38 |
Cc1onc(-c2ccccc2)c1-c1ccc(S(=O)(=O)NO)cc1.O |
Homo sapiens |
CHEMBL967597 |
single protein format |
CHEMBL4448990 |
OBDepict
CH
3
N
O
O
Cl
|
IC50 |
= |
367.0 |
nM |
263.72 |
CC(=O)N(C1=CC(=O)CCC1)c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL4363122 |
single protein format |
CHEMBL4441570 |
OBDepict
O
N
H
Cl
|
IC50 |
= |
513.0 |
nM |
221.69 |
O=C1C=C(Nc2ccc(Cl)cc2)CCC1 |
Homo sapiens |
CHEMBL4363122 |
single protein format |
CHEMBL118 |
OBDepict
H
3
C
N
N
F
F
F
S
O
O
NH
2
|
IC50 |
= |
540.0 |
nM |
381.38 |
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 |
Homo sapiens |
CHEMBL4133558 |
single protein format |
CHEMBL6 |
OBDepict
H
3
C
O
N
CH
3
O
O
OH
Cl
|
IC50 |
= |
610.0 |
nM |
357.79 |
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL4133558 |
single protein format |
CHEMBL4474644 |
OBDepict
O
N
O
H
3
C
H
3
C
CH
3
O
Cl
|
IC50 |
= |
915.0 |
nM |
321.8 |
CC(C)(C)OC(=O)N(C1=CC(=O)CCC1)c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL4363122 |
single protein format |
CHEMBL4754218 |
OBDepict
CH
3
O
O
N
O
S
O
O
NH
2
|
IC50 |
= |
980.0 |
nM |
386.43 |
Cc1ccc(C(=O)CC2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1 |
Homo sapiens |
CHEMBL4722423 |
cell-based format |