molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4562558 |
|
IC50 |
= |
11.95 |
nM |
401.44 |
COc1cccc(C(=O)NCCN2CCOCC2)c1NC(=O)c1ccccc1F |
Homo sapiens |
CHEMBL4422027 |
cell-based format |
CHEMBL4558803 |
OBDepict
O
N
H
NH
N
O
F
O
|
IC50 |
= |
45.43 |
nM |
371.41 |
O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ccccc1F |
Homo sapiens |
CHEMBL4422029 |
cell-based format |
CHEMBL1383390 |
OBDepict
CH
3
O
N
H
O
HN
O
N
O
|
IC50 |
= |
61.7 |
nM |
383.45 |
COc1ccc(C(=O)Nc2ccccc2C(=O)NCCN2CCOCC2)cc1 |
Homo sapiens |
CHEMBL4422027 |
cell-based format |
CHEMBL4534875 |
OBDepict
F
F
NH
O
N
H
O
N
O
|
IC50 |
= |
237.8 |
nM |
389.4 |
O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1cc(F)cc(F)c1 |
Homo sapiens |
CHEMBL4422029 |
cell-based format |
CHEMBL4522736 |
OBDepict
O
N
H
NH
N
O
F
F
O
|
IC50 |
= |
705.9 |
nM |
389.4 |
O=C(NCCN1CCOCC1)c1ccccc1NC(=O)c1c(F)cccc1F |
Homo sapiens |
CHEMBL4422029 |
cell-based format |
CHEMBL4451393 |
OBDepict
F
F
HN
O
NH
O
N
O
|
IC50 |
= |
988.87 |
nM |
389.4 |
O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ccc(F)cc1F |
Homo sapiens |
CHEMBL4422029 |
cell-based format |