molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL36327 |
|
IC50 |
= |
255.0 |
nM |
442.38 |
O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1 |
Homo sapiens |
CHEMBL4482621 |
single protein format |
CHEMBL297453 |
OBDepict
HO
OH
O
H
H
O
O
OH
HO
OH
OH
OH
OH
|
IC50 |
= |
277.0 |
nM |
458.38 |
O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 |
Homo sapiens |
CHEMBL4482621 |
single protein format |
CHEMBL29898 |
OBDepict
OH
HO
O
O
OH
OH
|
IC50 |
= |
563.0 |
nM |
272.21 |
O=C1c2ccc(O)c(O)c2C(=O)c2c(O)ccc(O)c21 |
Homo sapiens |
CHEMBL4482621 |
single protein format |
CHEMBL337702 |
OBDepict
NH
2
OH
OH
HO
|
IC50 |
= |
779.0 |
nM |
169.18 |
NCCc1cc(O)c(O)cc1O |
Homo sapiens |
CHEMBL4482621 |
single protein format |
CHEMBL4592344 |
OBDepict
H
3
C
O
OH
N
HN
O
OH
H
3
C
|
IC50 |
= |
849.0 |
nM |
266.3 |
COc1cc(/C=N/NC(=O)CCC(C)O)ccc1O |
Homo sapiens |
CHEMBL4482621 |
single protein format |
CHEMBL253570 |
OBDepict
HO
HO
O
HO
O
OH
OH
OH
|
IC50 |
= |
913.0 |
nM |
318.24 |
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12 |
Homo sapiens |
CHEMBL4482621 |
single protein format |
CHEMBL1609107 |
OBDepict
CH
3
O
O
HO
F
F
F
|
IC50 |
= |
938.0 |
nM |
246.18 |
Cc1ccc2c(c1)C(=O)CC(O)(C(F)(F)F)O2 |
Homo sapiens |
CHEMBL4482621 |
single protein format |