molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL376840 |
|
Ki |
= |
18.4 |
nM |
298.47 |
CC1(C)CCC[C@]2(C)[C@@H]([C@@H](O)c3ccccc3)[C@H]3CC[C@@H]2[C@H]31 |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL376840 |
OBDepict
H
OH
H
H
CH
3
H
H
H
3
C
CH
3
|
IC50 |
= |
54.0 |
nM |
298.47 |
CC1(C)CCC[C@]2(C)[C@@H]([C@@H](O)c3ccccc3)[C@H]3CC[C@@H]2[C@H]31 |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL388140 |
OBDepict
OH
H
H
CH
3
H
H
CH
3
H
3
C
|
IC50 |
= |
100.0 |
nM |
222.37 |
CC1(C)CCC[C@]2(C)[C@@H](CO)[C@H]3CC[C@@H]2[C@H]31 |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL226038 |
OBDepict
Cl
OH
H
H
H
CH
3
H
H
CH
3
H
3
C
|
IC50 |
= |
200.0 |
nM |
270.84 |
CC1(C)CCC[C@]2(C)[C@@H]([C@@H](O)CCl)[C@H]3CC[C@@H]2[C@H]31 |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL374179 |
OBDepict
H
2
C
OH
H
H
H
H
3
C
H
H
H
3
C
CH
3
|
IC50 |
= |
200.0 |
nM |
262.44 |
C=CC[C@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL376839 |
OBDepict
CH
3
H
3
C
CH
3
HO
H
H
H
CH
3
H
H
CH
3
H
3
C
|
IC50 |
= |
200.0 |
nM |
278.48 |
CC(C)(C)[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL388191 |
OBDepict
Cl
OH
H
H
H
CH
3
H
H
CH
3
H
3
C
|
IC50 |
= |
200.0 |
nM |
270.84 |
CC1(C)CCC[C@]2(C)[C@@H]([C@H](O)CCl)[C@H]3CC[C@@H]2[C@H]31 |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL226514 |
OBDepict
HO
OH
H
H
H
CH
3
H
H
CH
3
H
3
C
|
IC50 |
= |
200.0 |
nM |
266.42 |
CC1(C)CCC[C@]2(C)[C@@H]([C@H](O)CCO)[C@H]3CC[C@@H]2[C@H]31 |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL389041 |
OBDepict
HO
OH
H
H
H
CH
3
H
H
CH
3
H
3
C
|
IC50 |
= |
300.0 |
nM |
266.42 |
CC1(C)CCC[C@]2(C)[C@@H]([C@@H](O)CCO)[C@H]3CC[C@@H]2[C@H]31 |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL226344 |
OBDepict
H
3
C
O
O
OH
H
H
H
CH
3
H
H
H
3
C
H
3
C
|
IC50 |
= |
300.0 |
nM |
308.46 |
CCOC(=O)C[C@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL226088 |
OBDepict
CH
2
HO
H
H
H
CH
3
H
H
CH
3
H
3
C
|
IC50 |
= |
300.0 |
nM |
248.41 |
C=C[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL225769 |
OBDepict
CH
3
CH
3
HO
H
H
H
CH
3
H
H
CH
3
H
3
C
|
IC50 |
= |
400.0 |
nM |
264.45 |
CC(C)[C@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL225768 |
OBDepict
CH
3
CH
3
HO
H
H
H
CH
3
H
H
CH
3
H
3
C
|
IC50 |
= |
400.0 |
nM |
264.45 |
CC(C)[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL225767 |
OBDepict
H
2
C
OH
H
H
H
H
3
C
H
H
H
3
C
CH
3
|
IC50 |
= |
400.0 |
nM |
262.44 |
C=CC[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL390574 |
OBDepict
H
3
C
O
O
OH
H
H
H
CH
3
H
H
H
3
C
H
3
C
|
IC50 |
= |
400.0 |
nM |
308.46 |
CCOC(=O)C[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL449400 |
OBDepict
CH
3
HO
H
H
H
CH
3
H
H
CH
3
H
3
C
|
IC50 |
= |
500.0 |
nM |
250.43 |
CC[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL389256 |
OBDepict
CH
3
HO
H
H
H
CH
3
H
H
CH
3
H
3
C
|
IC50 |
= |
500.0 |
nM |
250.43 |
CC[C@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL225520 |
OBDepict
HO
H
H
CH
3
H
H
CH
3
H
3
C
|
IC50 |
= |
500.0 |
nM |
236.4 |
CC1(C)CCC[C@]2(C)[C@@H](CCO)[C@H]3CC[C@@H]2[C@H]31 |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL226039 |
OBDepict
H
OH
CH
3
H
H
H
3
C
H
H
H
3
C
CH
3
|
IC50 |
= |
500.0 |
nM |
236.4 |
C[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL374178 |
OBDepict
CH
2
HO
H
H
H
CH
3
H
H
CH
3
H
3
C
|
IC50 |
= |
600.0 |
nM |
248.41 |
C=C[C@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL390748 |
OBDepict
HO
H
H
CH
3
H
H
CH
3
H
3
C
|
IC50 |
= |
700.0 |
nM |
248.41 |
CC1(C)CCC[C@]2(C)[C@@H](/C=CCO)[C@H]3CC[C@@H]2[C@H]31 |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL389042 |
OBDepict
H
OH
CH
3
H
H
H
3
C
H
H
H
3
C
CH
3
|
IC50 |
= |
700.0 |
nM |
236.4 |
C[C@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL2448549 |
OBDepict
H
3
C
H
3
C
CH
3
OH
H
H
H
CH
3
H
H
CH
3
H
3
C
|
IC50 |
= |
800.0 |
nM |
278.48 |
CC1(C)CCC[C@]2(C)[C@@H]([C@@H](O)C(C)(C)C)[C@H]3CC[C@@H]2[C@H]31 |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL225521 |
OBDepict
HO
H
H
CH
3
H
H
CH
3
H
3
C
|
IC50 |
= |
800.0 |
nM |
248.41 |
CC1(C)CCC[C@]2(C)[C@@H](/C=C/CO)[C@H]3CC[C@@H]2[C@H]31 |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL225822 |
OBDepict
H
OH
H
H
CH
3
H
H
H
3
C
CH
3
|
IC50 |
= |
900.0 |
nM |
298.47 |
CC1(C)CCC[C@]2(C)[C@@H]([C@H](O)c3ccccc3)[C@H]3CC[C@@H]2[C@H]31 |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL390747 |
OBDepict
HO
H
H
CH
3
H
H
CH
3
H
3
C
|
IC50 |
= |
900.0 |
nM |
250.43 |
CC1(C)CCC[C@]2(C)[C@@H](CCCO)[C@H]3CC[C@@H]2[C@H]31 |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL226343 |
OBDepict
HO
O
OH
H
H
H
CH
3
H
H
CH
3
H
3
C
|
IC50 |
= |
900.0 |
nM |
280.41 |
CC1(C)CCC[C@]2(C)[C@@H]([C@H](O)CC(=O)O)[C@H]3CC[C@@H]2[C@H]31 |
Homo sapiens |
CHEMBL904746 |
single protein format |
CHEMBL390573 |
OBDepict
HO
O
OH
H
H
H
CH
3
H
H
CH
3
H
3
C
|
IC50 |
= |
1000.0 |
nM |
280.41 |
CC1(C)CCC[C@]2(C)[C@@H]([C@@H](O)CC(=O)O)[C@H]3CC[C@@H]2[C@H]31 |
Homo sapiens |
CHEMBL904746 |
single protein format |