molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL319525 |
|
Ki |
= |
42.0 |
nM |
444.55 |
COc1ccc([C@@H]2Sc3cc(OC)ccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1 |
Homo sapiens |
CHEMBL660031 |
tissue-based format |
CHEMBL96454 |
OBDepict
CH
3
O
H
S
H
CH
3
O
N
O
H
3
C
N
CH
3
H
3
C
|
Ki |
= |
85.0 |
nM |
400.54 |
COc1ccc([C@@H]2Sc3cc(OC)ccc3N(CCN(C)C)C(=O)[C@@H]2C)cc1 |
Homo sapiens |
CHEMBL660031 |
tissue-based format |
CHEMBL23 |
OBDepict
CH
3
O
H
S
H
O
O
N
O
H
3
C
N
H
3
C
CH
3
|
Ki |
= |
380.0 |
nM |
414.53 |
COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1 |
Homo sapiens |
CHEMBL660031 |
tissue-based format |
CHEMBL262509 |
OBDepict
CH
3
O
H
S
H
CH
3
O
N
N
CH
3
H
3
C
|
Ki |
= |
540.0 |
nM |
370.52 |
COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2C)cc1 |
Homo sapiens |
CHEMBL660031 |
tissue-based format |
CHEMBL98189 |
OBDepict
CH
3
O
H
H
CH
3
O
N
N
CH
3
H
3
C
|
Ki |
= |
650.0 |
nM |
352.48 |
COc1ccc([C@@H]2Cc3ccccc3N(CCN(C)C)C(=O)[C@@H]2C)cc1 |
Homo sapiens |
CHEMBL660031 |
tissue-based format |