molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4760337 |
|
IC50 |
= |
97.0 |
nM |
477.54 |
O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1ccc(C3CCCCC3)cc1)c(O)c2O |
Homo sapiens |
CHEMBL4666358 |
single protein format |
CHEMBL4763924 |
OBDepict
Cl
S
HN
O
O
OH
OH
O
O
|
IC50 |
= |
140.0 |
nM |
505.94 |
O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)c(O)c2O |
Homo sapiens |
CHEMBL4666358 |
single protein format |
CHEMBL4789955 |
OBDepict
OH
OH
HN
O
S
O
O
O
|
IC50 |
= |
190.0 |
nM |
445.45 |
O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1ccc3ccccc3c1)c(O)c2O |
Homo sapiens |
CHEMBL4666358 |
single protein format |
CHEMBL4741748 |
OBDepict
OH
HN
OH
S
O
O
O
O
|
IC50 |
= |
250.0 |
nM |
471.49 |
O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1ccc(-c3ccccc3)cc1)c(O)c2O |
Homo sapiens |
CHEMBL4666358 |
single protein format |
CHEMBL4784572 |
OBDepict
F
S
HN
O
O
OH
OH
O
O
|
IC50 |
= |
260.0 |
nM |
489.48 |
O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1ccc(-c3ccc(F)cc3)cc1)c(O)c2O |
Homo sapiens |
CHEMBL4666358 |
single protein format |
CHEMBL4742013 |
OBDepict
OH
HN
OH
S
O
O
N
O
O
|
IC50 |
= |
330.0 |
nM |
478.53 |
O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1ccc(N3CCCCC3)cc1)c(O)c2O |
Homo sapiens |
CHEMBL4666358 |
single protein format |
CHEMBL4757633 |
OBDepict
CH
3
S
NH
O
O
OH
HO
O
O
|
IC50 |
= |
360.0 |
nM |
409.42 |
Cc1ccc(S(=O)(=O)Nc2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)cc1 |
Homo sapiens |
CHEMBL4666358 |
single protein format |
CHEMBL4759807 |
OBDepict
CH
3
O
S
NH
O
O
OH
OH
O
O
|
IC50 |
= |
480.0 |
nM |
425.42 |
COc1cccc(S(=O)(=O)Nc2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)c1 |
Homo sapiens |
CHEMBL4666358 |
single protein format |
CHEMBL297453 |
OBDepict
HO
OH
O
H
H
O
O
OH
HO
OH
OH
OH
OH
|
IC50 |
= |
490.0 |
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 |
CHEMBL4222127 |
cell-based format |
CHEMBL4752163 |
OBDepict
OH
HN
OH
S
O
O
H
3
C
CH
3
H
3
C
O
O
|
IC50 |
= |
490.0 |
nM |
451.5 |
CC(C)(C)c1ccc(S(=O)(=O)Nc2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)cc1 |
Homo sapiens |
CHEMBL4666358 |
single protein format |
CHEMBL186784 |
OBDepict
O
O
|
IC50 |
= |
500.0 |
nM |
196.21 |
O=c1c2ccccc2oc2ccccc12 |
Homo sapiens |
CHEMBL4713836 |
single protein format |
CHEMBL4228862 |
OBDepict
OH
HN
OH
S
O
O
O
O
OH
|
IC50 |
= |
500.0 |
nM |
481.53 |
O=c1c2c(O)cccc2oc2cc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)c(O)c(O)c12 |
Homo sapiens |
CHEMBL4222108 |
single protein format |
CHEMBL4743623 |
OBDepict
Cl
S
S
HN
O
O
HO
OH
O
O
|
IC50 |
= |
550.0 |
nM |
435.87 |
O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1ccc(Cl)s1)c(O)c2O |
Homo sapiens |
CHEMBL4666358 |
single protein format |
CHEMBL4798515 |
OBDepict
OH
HN
OH
S
O
O
Cl
F
F
F
O
O
|
IC50 |
= |
550.0 |
nM |
497.83 |
O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c(O)c2O |
Homo sapiens |
CHEMBL4666358 |
single protein format |
CHEMBL4762201 |
OBDepict
OH
HN
OH
S
O
O
F
F
F
F
O
O
|
IC50 |
= |
630.0 |
nM |
481.38 |
O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c(O)c2O |
Homo sapiens |
CHEMBL4666358 |
single protein format |
CHEMBL4787732 |
OBDepict
OH
OH
N
H
O
S
O
O
O
S
|
IC50 |
= |
840.0 |
nM |
401.42 |
O=C1c2ccccc2C(=O)c2c1cc(NS(=O)(=O)c1cccs1)c(O)c2O |
Homo sapiens |
CHEMBL4666358 |
single protein format |
CHEMBL4227227 |
OBDepict
OH
HN
OH
S
O
O
O
N
O
OH
|
IC50 |
= |
1000.0 |
nM |
482.51 |
O=c1c2c(O)cccc2oc2cc(NS(=O)(=O)c3ccc(N4CCCCC4)cc3)c(O)c(O)c12 |
Homo sapiens |
CHEMBL4222108 |
single protein format |