molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3771175 |
|
IC50 |
= |
110.0 |
nM |
283.28 |
CCOc1ncccc1CCC(O)(CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL3773091 |
cell-based format |
CHEMBL3770609 |
OBDepict
CH
3
O
N
HO
O
OH
O
HO
|
IC50 |
= |
110.0 |
nM |
283.28 |
CCOc1ncccc1CC[C@@](O)(CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL3773091 |
cell-based format |
CHEMBL3770497 |
OBDepict
H
3
C
N
O
OH
H
3
C
O
OH
O
OH
|
IC50 |
= |
190.0 |
nM |
297.31 |
CCOc1ncc(C)cc1CCC(O)(CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL3773091 |
cell-based format |
CHEMBL3770675 |
OBDepict
CH
3
O
CH
3
N
HO
O
OH
O
HO
|
IC50 |
= |
330.0 |
nM |
297.31 |
CC(C)Oc1ncccc1CCC(O)(CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL3773091 |
cell-based format |
CHEMBL3769578 |
OBDepict
HO
O
OH
O
HO
CH
3
H
3
C
CH
3
|
IC50 |
= |
410.0 |
nM |
294.35 |
CC(C)(C)c1ccc(CC[C@@](O)(CC(=O)O)C(=O)O)cc1 |
Homo sapiens |
CHEMBL3773091 |
cell-based format |
CHEMBL3771118 |
OBDepict
H
3
C
O
N
CH
3
HO
O
OH
O
OH
|
IC50 |
= |
510.0 |
nM |
283.28 |
COc1ncc(C)cc1CC[C@@](O)(CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL3773091 |
cell-based format |
CHEMBL3770370 |
OBDepict
H
3
C
O
N
CH
3
HO
O
OH
O
OH
|
IC50 |
= |
650.0 |
nM |
283.28 |
COc1ncc(C)cc1CCC(O)(CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL3773091 |
cell-based format |
CHEMBL3769514 |
OBDepict
HO
O
OH
O
HO
CH
3
H
3
C
CH
3
|
IC50 |
= |
800.0 |
nM |
294.35 |
CC(C)(C)c1ccc(CCC(O)(CC(=O)O)C(=O)O)cc1 |
Homo sapiens |
CHEMBL3773091 |
cell-based format |