molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL481422 |
|
Ki |
= |
1.8 |
nM |
476.62 |
CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O |
Homo sapiens |
CHEMBL985406 |
cell-based format |
CHEMBL456400 |
OBDepict
CH
3
N
H
H
3
C
H
NH
O
H
N
O
N
O
CH
3
H
H
N
H
O
|
Ki |
= |
1.9 |
nM |
519.65 |
CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O |
Homo sapiens |
CHEMBL985406 |
cell-based format |
CHEMBL504559 |
OBDepict
H
3
C
N
H
CH
3
H
HN
O
H
N
O
N
O
H
H
N
H
O
|
Ki |
= |
4.2 |
nM |
595.74 |
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2ccccc2)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O |
Homo sapiens |
CHEMBL985406 |
cell-based format |
CHEMBL459541 |
OBDepict
H
3
C
N
H
CH
3
H
HN
O
H
N
H
O
N
H
H
N
H
O
|
Ki |
= |
4.6 |
nM |
477.61 |
CN[C@@H](C)C(=O)N[C@H]1CNCC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O |
Homo sapiens |
CHEMBL985406 |
cell-based format |
CHEMBL506213 |
OBDepict
H
3
C
N
H
CH
3
H
HN
O
H
N
O
N
H
H
HN
O
|
Ki |
= |
9.8 |
nM |
567.73 |
CN[C@@H](C)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O |
Homo sapiens |
CHEMBL985406 |
cell-based format |
CHEMBL461456 |
OBDepict
CH
3
N
H
H
3
C
H
NH
O
H
N
O
N
H
3
C
H
H
N
H
O
|
Ki |
= |
17.5 |
nM |
491.64 |
CN[C@@H](C)C(=O)N[C@H]1CN(C)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O |
Homo sapiens |
CHEMBL985406 |
cell-based format |