molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4520468 |
|
IC50 |
= |
4.0 |
nM |
597.57 |
CC(C)[C@H](NC(=O)[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H](CC1CCCCC1)NC(=O)c1ccc2ccccc2c1)B(O)O |
Homo sapiens |
CHEMBL4418436 |
single protein format |
CHEMBL4466195 |
OBDepict
Cl
O
Cl
N
O
H
H
O
NH
O
H
O
CH
3
H
3
C
F
F
F
|
IC50 |
= |
8.95 |
nM |
575.41 |
CC(C)[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)COc1cc(Cl)cc(Cl)c1)C(=O)C(F)(F)F |
Homo sapiens |
CHEMBL4418458 |
cell-based format |
CHEMBL4446596 |
OBDepict
O
HN
H
N
O
HN
O
B
H
HO
HO
CH
3
H
3
C
|
IC50 |
= |
10.0 |
nM |
595.55 |
CC(C)[C@H](NC(=O)C1C=C(c2ccccc2)CN1C(=O)[C@@H](CC1CCCCC1)NC(=O)c1ccc2ccccc2c1)B(O)O |
Homo sapiens |
CHEMBL4418436 |
single protein format |
CHEMBL4570179 |
OBDepict
O
N
H
H
N
O
H
H
NH
O
H
B
H
OH
HO
H
3
C
CH
3
|
IC50 |
= |
16.0 |
nM |
561.53 |
CC(C)[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](CC1CCCCC1)NC(=O)c1ccc2ccccc2c1)B(O)O |
Homo sapiens |
CHEMBL4418436 |
single protein format |
CHEMBL4444523 |
OBDepict
H
3
C
CH
3
HN
H
O
F
F
F
O
H
N
H
O
O
Cl
Cl
|
IC50 |
= |
19.6 |
nM |
573.44 |
CC(C)[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)C(F)(F)F |
Homo sapiens |
CHEMBL4418458 |
cell-based format |
CHEMBL4474054 |
OBDepict
CH
3
CH
3
B
HN
H
OH
HO
O
H
N
H
Cl
O
HN
H
O
|
IC50 |
= |
60.0 |
nM |
555.91 |
CC(C)[C@H](NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](CC1CCCCC1)NC(=O)c1ccc2ccccc2c1)B(O)O |
Homo sapiens |
CHEMBL4418436 |
single protein format |