molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1872483 |
|
IC50 |
= |
240.0 |
nM |
415.53 |
COc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OC1CCN(C(C)C)CC1 |
Homo sapiens |
CHEMBL3404113 |
cell-based format |
CHEMBL3304438 |
OBDepict
H
3
C
O
O
N
H
O
N
H
3
C
O
N
CH
3
CH
3
|
IC50 |
= |
270.0 |
nM |
387.48 |
COc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OC1CCN(C)CC1 |
Homo sapiens |
CHEMBL3404113 |
cell-based format |
CHEMBL3933906 |
OBDepict
CH
3
N
O
Cl
N
H
O
O
N
CH
3
CH
3
|
IC50 |
= |
270.0 |
nM |
391.9 |
CC(C)c1cc(CNC(=O)c2ccc(Cl)c(OC3CCN(C)CC3)c2)on1 |
Homo sapiens |
CHEMBL3860689 |
cell-based format |
CHEMBL3899143 |
OBDepict
CH
3
N
O
F
N
H
O
O
N
CH
3
CH
3
|
IC50 |
= |
467.0 |
nM |
375.44 |
CC(C)c1cc(CNC(=O)c2ccc(F)c(OC3CCN(C)CC3)c2)on1 |
Homo sapiens |
CHEMBL3860689 |
cell-based format |
CHEMBL1340914 |
OBDepict
CH
3
O
O
NH
O
N
O
CH
3
H
3
C
N
H
3
C
|
IC50 |
= |
600.0 |
nM |
401.51 |
CCc1cc(CNC(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)on1 |
Homo sapiens |
CHEMBL3404110 |
cell-based format |
CHEMBL3959257 |
OBDepict
CH
3
N
O
N
H
O
O
N
CH
3
CH
3
|
IC50 |
= |
640.0 |
nM |
357.45 |
CC(C)c1cc(CNC(=O)c2cccc(OC3CCN(C)CC3)c2)on1 |
Homo sapiens |
CHEMBL3860689 |
cell-based format |
CHEMBL1887357 |
OBDepict
H
3
C
O
O
N
H
O
N
S
N
H
3
C
CH
3
CH
3
CH
3
|
IC50 |
= |
760.0 |
nM |
417.58 |
COc1ccc(C(=O)NCc2nc(C)c(C)s2)cc1OC1CCN(C(C)C)CC1 |
Homo sapiens |
CHEMBL3404110 |
cell-based format |
CHEMBL3303792 |
OBDepict
H
3
C
O
O
N
H
O
N
O
N
CH
3
CH
3
|
IC50 |
= |
760.0 |
nM |
401.51 |
COc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OCCN1CCCCC1 |
Homo sapiens |
CHEMBL3404113 |
cell-based format |
CHEMBL3182315 |
OBDepict
CH
3
O
O
N
H
O
N
CH
3
H
3
C
CH
3
N
H
3
C
N
H
3
C
|
IC50 |
= |
910.0 |
nM |
428.58 |
CCn1nc(C)c(CNC(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)c1C |
Homo sapiens |
CHEMBL3404114 |
cell-based format |