molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL504404 |
|
IC50 |
= |
620.0 |
nM |
510.54 |
C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@@]5([C@H]2C1=O)[C@@]3(C)OC(=O)[C@@]5(O)CC[C@H]1[C@H]4CC=C2CC=CC(=O)[C@@]21C |
Homo sapiens |
CHEMBL972431 |
cell-based format |
CHEMBL4205868 |
OBDepict
CH
3
O
O
CH
3
H
H
OH
H
3
C
O
N
H
3
C
|
IC50 |
= |
640.0 |
nM |
343.42 |
COC(=O)[C@]1(C)CCC[C@]2(C)c3cc4oc(C)nc4cc3C[C@@H](O)[C@H]21 |
Homo sapiens |
CHEMBL4190500 |
cell-based format |
CHEMBL1215434 |
OBDepict
O
O
OH
H
3
C
O
H
O
H
H
O
O
H
3
C
O
H
CH
3
H
O
O
H
|
IC50 |
= |
660.0 |
nM |
526.54 |
C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@]5([C@H]2C1=O)[C@@](O)(CC[C@H]1[C@H]4C[C@H]2O[C@]24CC=CC(=O)[C@]14C)C(=O)O[C@@]35C |
Homo sapiens |
CHEMBL972431 |
cell-based format |
CHEMBL4214812 |
OBDepict
CH
3
O
O
CH
3
H
H
OH
H
3
C
O
|
IC50 |
= |
740.0 |
nM |
342.44 |
CCOC(=O)[C@]1(C)CCC[C@]2(C)c3cc4occc4cc3C[C@@H](O)[C@H]21 |
Homo sapiens |
CHEMBL4190500 |
cell-based format |