3D structures mapped by conservation among orthologs
[ Alpha Fold Model ] (go)
Known binders annotated in ChEMBL
IC50 table
Ki table
molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL127222 |
|
Ki |
= |
0.1 |
nM |
194.25 |
O=C(O)CS/C=C/c1ccccc1 |
Homo sapiens |
CHEMBL766260 |
single protein format |
CHEMBL335660 |
OBDepict
OH
O
S
|
Ki |
= |
0.19 |
nM |
192.24 |
O=C(O)CSC#Cc1ccccc1 |
Homo sapiens |
CHEMBL766260 |
single protein format |
CHEMBL3221589 |
OBDepict
CH
3
O
O
O
HO
|
IC50 |
= |
50.0 |
nM |
230.3 |
CCCCCCCCCC(=O)OCC(=O)O |
Homo sapiens |
CHEMBL3225332 |
cell-based format |
CHEMBL3221585 |
OBDepict
CH
3
O
O
O
HO
|
IC50 |
= |
60.0 |
nM |
258.36 |
CCCCCCCCCCCC(=O)OCC(=O)O |
Homo sapiens |
CHEMBL3225332 |
cell-based format |
CHEMBL2269608 |
OBDepict
OH
O
|
Ki |
= |
96.0 |
nM |
162.19 |
O=C(O)C/C=C/c1ccccc1 |
Homo sapiens |
CHEMBL3225338 |
cell-based format |