molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4648848 |
|
IC50 |
= |
330.0 |
nM |
499.57 |
C[C@H]1CN(C(c2ccc(F)cc2)c2ccccc2F)[C@H](C)CN1c1cc(=O)n(C)c2ccc(C#N)nc12 |
Homo sapiens |
CHEMBL4618781 |
cell-based format |
CHEMBL4645744 |
OBDepict
N
N
N
N
H
3
C
O
H
H
3
C
H
CH
3
N
F
F
|
IC50 |
= |
400.0 |
nM |
499.57 |
C[C@H]1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](C)CN1c1cc(=O)n(C)c2ccc(C#N)nc12 |
Homo sapiens |
CHEMBL4618781 |
cell-based format |
CHEMBL4633304 |
OBDepict
N
N
N
N
H
3
C
O
N
N
H
CH
3
Cl
|
IC50 |
= |
490.0 |
nM |
509.01 |
C[C@@H]1CN(c2c(C#N)c(=O)n(C)c3ccc(C#N)nc23)CCN1C(c1ccccc1)c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL4618781 |
cell-based format |
CHEMBL4647083 |
OBDepict
N
N
N
N
H
3
C
O
N
N
H
CH
3
Cl
Cl
|
IC50 |
= |
830.0 |
nM |
543.46 |
C[C@@H]1CN(c2c(C#N)c(=O)n(C)c3ccc(C#N)nc23)CCN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL4618781 |
cell-based format |