molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL370250 |
|
IC50 |
= |
120.0 |
nM |
268.36 |
COc1ccc(/C=Cc2cc(C)c(C)c(C)c2)cc1O |
Homo sapiens |
CHEMBL832453 |
single protein format |
CHEMBL193716 |
OBDepict
CH
3
O
O
CH
3
O
CH
3
CH
3
OH
O
CH
3
|
IC50 |
= |
130.0 |
nM |
330.38 |
COc1ccc(/C=C(/C)c2cc(OC)c(OC)c(OC)c2)cc1O |
Homo sapiens |
CHEMBL832453 |
single protein format |
CHEMBL195572 |
OBDepict
CH
3
O
O
CH
3
O
H
3
C
HO
CH
3
O
CH
3
|
IC50 |
= |
130.0 |
nM |
344.41 |
CC/C(=C/c1ccc(OC)c(O)c1)c1cc(OC)c(OC)c(OC)c1 |
Homo sapiens |
CHEMBL832453 |
single protein format |
CHEMBL67 |
OBDepict
CH
3
O
O
CH
3
O
H
3
C
HO
O
H
3
C
|
IC50 |
= |
180.0 |
nM |
316.35 |
COc1ccc(/C=Cc2cc(OC)c(OC)c(OC)c2)cc1O |
Homo sapiens |
CHEMBL832453 |
single protein format |
CHEMBL47426 |
OBDepict
CH
3
O
O
O
CH
3
O
CH
3
CH
3
|
IC50 |
= |
200.0 |
nM |
300.35 |
COc1ccc(/C=Cc2cc(OC)c(OC)c(OC)c2)cc1 |
Homo sapiens |
CHEMBL832453 |
single protein format |
CHEMBL195840 |
OBDepict
CH
3
O
HO
O
O
H
3
C
O
O
CH
3
CH
3
|
IC50 |
= |
450.0 |
nM |
344.36 |
COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1O |
Homo sapiens |
CHEMBL832453 |
single protein format |
CHEMBL9859 |
OBDepict
CH
3
O
O
CH
3
O
O
CH
3
CH
3
OH
O
CH
3
|
IC50 |
= |
460.0 |
nM |
358.39 |
COc1ccc(/C=C(C)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O |
Homo sapiens |
CHEMBL832453 |
single protein format |
CHEMBL371839 |
OBDepict
CH
3
O
O
O
O
F
H
3
C
O
H
3
C
O
H
3
C
CH
3
|
IC50 |
= |
470.0 |
nM |
376.38 |
CO/C(=Cc1ccc(OC)c(F)c1)C(=O)c1cc(OC)c(OC)c(OC)c1 |
Homo sapiens |
CHEMBL832453 |
single protein format |
CHEMBL192739 |
OBDepict
H
3
C
O
O
O
H
3
C
CH
3
OH
O
H
3
C
|
IC50 |
= |
500.0 |
nM |
358.43 |
CCOc1cc(/C=Cc2ccc(OC)c(O)c2)cc(OCC)c1OCC |
Homo sapiens |
CHEMBL832453 |
single protein format |
CHEMBL364034 |
OBDepict
CH
3
O
O
O
O
OH
H
3
C
O
H
3
C
O
H
3
C
CH
3
|
IC50 |
= |
510.0 |
nM |
374.39 |
CO/C(=Cc1ccc(OC)c(O)c1)C(=O)c1cc(OC)c(OC)c(OC)c1 |
Homo sapiens |
CHEMBL832453 |
single protein format |
CHEMBL150582 |
OBDepict
O
O
O
CH
3
O
O
CH
3
O
CH
3
H
3
C
|
IC50 |
= |
560.0 |
nM |
332.35 |
COc1ccc(OCc2cc(OC)c(OC)c(OC)c2)cc1C=O |
Homo sapiens |
CHEMBL832453 |
single protein format |
CHEMBL9941 |
OBDepict
CH
3
O
O
CH
3
O
O
CH
3
OH
O
CH
3
|
IC50 |
= |
620.0 |
nM |
344.36 |
COc1ccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O |
Homo sapiens |
CHEMBL832453 |
single protein format |
CHEMBL426644 |
OBDepict
CH
3
O
O
CH
3
O
O
CH
3
CH
3
F
O
CH
3
|
IC50 |
= |
650.0 |
nM |
360.38 |
COc1ccc(/C=C(C)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1F |
Homo sapiens |
CHEMBL832453 |
single protein format |
CHEMBL192540 |
OBDepict
CH
3
O
CH
3
CH
3
CH
3
|
IC50 |
= |
650.0 |
nM |
252.36 |
COc1ccc(/C=Cc2cc(C)c(C)c(C)c2)cc1 |
Homo sapiens |
CHEMBL832453 |
single protein format |
CHEMBL192056 |
OBDepict
CH
3
O
F
CH
3
H
3
C
H
3
C
|
IC50 |
= |
700.0 |
nM |
270.35 |
COc1ccc(/C=Cc2cc(C)c(C)c(C)c2)cc1F |
Homo sapiens |
CHEMBL832453 |
single protein format |
CHEMBL363063 |
OBDepict
CH
3
O
N
H
H
3
C
O
O
O
H
3
C
O
H
3
C
H
3
C
|
IC50 |
= |
900.0 |
nM |
355.39 |
COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)[nH]c2c1 |
Homo sapiens |
CHEMBL876479 |
single protein format |