molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4536276 |
|
IC50 |
= |
1.0 |
nM |
382.5 |
CCCCC[C@@H](O)c1c(/C=C/[C@@H](O)[C@@H](O)CCCC(=O)OC)nc(C)n1C |
Homo sapiens |
CHEMBL4383709 |
cell-based format |
CHEMBL4440913 |
OBDepict
H
3
C
HO
H
N
N
H
3
C
CH
3
OH
H
OH
H
O
O
CH
3
|
IC50 |
= |
25.3 |
nM |
382.5 |
CCCCC[C@H](O)c1c(/C=C/[C@@H](O)[C@@H](O)CCCC(=O)OC)nc(C)n1C |
Homo sapiens |
CHEMBL4383709 |
cell-based format |
CHEMBL4574711 |
OBDepict
CH
3
OH
H
N
N
HO
H
HO
H
O
O
H
3
C
|
IC50 |
= |
26.2 |
nM |
506.64 |
CCCCC[C@@H](O)c1nc(-c2ccccc2)n(-c2ccccc2)c1/C=C/[C@@H](O)[C@@H](O)CCCC(=O)OC |
Homo sapiens |
CHEMBL4383709 |
cell-based format |
CHEMBL392438 |
OBDepict
H
3
C
HO
H
HO
H
OH
H
O
HO
|
IC50 |
= |
26.3 |
nM |
352.47 |
CCCCC[C@H](O)/C=C/C=CC=CC=C[C@@H](O)[C@@H](O)CCCC(=O)O |
Homo sapiens |
CHEMBL4383709 |
cell-based format |
CHEMBL4534051 |
OBDepict
H
3
C
O
O
OH
H
OH
H
N
N
CH
3
CH
3
HO
CH
3
H
|
IC50 |
= |
27.8 |
nM |
326.39 |
COC(=O)CCC[C@H](O)[C@H](O)/C=C/c1nc(C)n(C)c1[C@@H](C)O |
Homo sapiens |
CHEMBL4383709 |
cell-based format |
CHEMBL4460558 |
OBDepict
H
3
C
O
O
OH
H
OH
H
N
N
CH
3
CH
3
HO
CH
3
H
|
IC50 |
= |
27.8 |
nM |
326.39 |
COC(=O)CCC[C@H](O)[C@H](O)/C=C/c1nc(C)n(C)c1[C@H](C)O |
Homo sapiens |
CHEMBL4383709 |
cell-based format |
CHEMBL4436717 |
OBDepict
CH
3
OH
H
N
N
H
3
C
H
3
C
OH
H
OH
H
O
O
CH
3
|
IC50 |
= |
31.5 |
nM |
354.45 |
CCC[C@H](O)c1c(/C=C/[C@@H](O)[C@@H](O)CCCC(=O)OC)nc(C)n1C |
Homo sapiens |
CHEMBL4383709 |
cell-based format |
CHEMBL4462922 |
OBDepict
CH
3
OH
H
N
N
HO
H
HO
H
O
O
H
3
C
|
IC50 |
= |
32.4 |
nM |
506.64 |
CCCCC[C@H](O)c1nc(-c2ccccc2)n(-c2ccccc2)c1/C=C/[C@@H](O)[C@@H](O)CCCC(=O)OC |
Homo sapiens |
CHEMBL4383709 |
cell-based format |
CHEMBL4582724 |
OBDepict
CH
3
OH
H
N
O
OH
H
HO
H
O
O
H
3
C
CH
3
|
IC50 |
= |
37.3 |
nM |
459.58 |
CCCCC[C@@H](O)c1nc(-c2ccccc2)oc1/C=C/[C@@H](O)[C@@H](O)CCCC(=O)OC(C)C |
Homo sapiens |
CHEMBL4383709 |
cell-based format |
CHEMBL4551559 |
OBDepict
CH
3
OH
H
N
N
H
3
C
H
3
C
OH
H
OH
H
O
O
CH
3
|
IC50 |
= |
40.3 |
nM |
354.45 |
CCC[C@@H](O)c1c(/C=C/[C@@H](O)[C@@H](O)CCCC(=O)OC)nc(C)n1C |
Homo sapiens |
CHEMBL4383709 |
cell-based format |
CHEMBL4784510 |
OBDepict
CH
3
O
F
F
H
NH
H
N
H
O
N
H
O
|
IC50 |
= |
57.0 |
nM |
361.35 |
COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccccc2)c(F)c1 |
Homo sapiens |
CHEMBL4725985 |
cell-based format |
CHEMBL4434857 |
OBDepict
CH
3
OH
H
N
O
OH
H
HO
H
O
O
H
3
C
CH
3
|
IC50 |
= |
69.6 |
nM |
459.58 |
CCCCC[C@H](O)c1nc(-c2ccccc2)oc1/C=C/[C@@H](O)[C@@H](O)CCCC(=O)OC(C)C |
Homo sapiens |
CHEMBL4383709 |
cell-based format |