molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3613749 |
|
IC50 |
= |
86.3 |
nM |
461.03 |
Cc1ncc(Cl)cc1NCc1ccc(C(=O)N[C@@H](CC2CCCC2)C(=O)NC2CC2)s1 |
Homo sapiens |
CHEMBL3614136 |
cell-based format |
CHEMBL3613748 |
OBDepict
H
3
C
Si
O
CH
3
CH
3
H
H
H
H
O
H
3
C
Si
O
OH
CH
3
H
3
C
CH
3
CH
3
H
3
C
|
IC50 |
= |
110.0 |
nM |
456.82 |
CC[Si](CC)(CC)O[C@@H]1CCC[C@@H]2[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]2(C)C(=O)O |
Homo sapiens |
CHEMBL3614136 |
cell-based format |
CHEMBL3613747 |
OBDepict
H
3
C
Si
O
CH
3
CH
3
H
H
H
H
O
H
3
C
Si
OH
CH
3
H
3
C
CH
3
CH
3
H
3
C
|
IC50 |
= |
215.0 |
nM |
442.83 |
CC[Si](CC)(CC)O[C@@H]1CCC[C@@H]2[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]2(C)CO |
Homo sapiens |
CHEMBL3614136 |
cell-based format |
CHEMBL3613748 |
OBDepict
H
3
C
Si
O
CH
3
CH
3
H
H
H
H
O
H
3
C
Si
O
OH
CH
3
H
3
C
CH
3
CH
3
H
3
C
|
Ki |
= |
228.0 |
nM |
456.82 |
CC[Si](CC)(CC)O[C@@H]1CCC[C@@H]2[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]2(C)C(=O)O |
Homo sapiens |
CHEMBL3614138 |
cell-based format |
CHEMBL1939361 |
OBDepict
H
3
C
Si
O
CH
3
CH
3
H
H
H
CH
3
H
H
O
H
3
C
Si
H
CH
3
H
3
C
CH
3
H
HO
CH
3
CH
3
H
3
C
OH
|
IC50 |
= |
480.0 |
nM |
540.98 |
CC[Si](CC)(CC)O[C@@H]1C[C@H](C)C[C@@H]2[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@]2(C)C[C@@H](O)C[C@@]1(C)CO |
Homo sapiens |
CHEMBL1941901 |
single protein format |