molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4554395 |
|
IC50 |
= |
41.0 |
nM |
508.04 |
CC(C)(C)c1ccc(N2C(=O)c3ccccc3[C@H](C(=O)O)[C@H]2c2ccc3c(c2)SCCO3)cc1Cl |
Homo sapiens |
CHEMBL4385500 |
cell membrane format |
CHEMBL4557373 |
OBDepict
HO
O
H
H
N
O
F
O
O
Cl
H
3
C
H
3
C
CH
3
|
IC50 |
= |
68.0 |
nM |
523.99 |
CC(C)(C)c1ccc(N2C(=O)c3cc(F)ccc3[C@H](CC(=O)O)[C@H]2c2ccc3c(c2)OCCO3)cc1Cl |
Homo sapiens |
CHEMBL4385500 |
cell membrane format |
CHEMBL4468037 |
OBDepict
O
N
H
H
O
HO
Cl
O
H
3
C
CH
3
H
3
C
O
|
IC50 |
= |
84.0 |
nM |
491.97 |
CC(C)(C)c1ccc(N2C(=O)c3ccccc3[C@H](C(=O)O)[C@H]2c2ccc3c(c2)OCCO3)cc1Cl |
Homo sapiens |
CHEMBL4385500 |
cell membrane format |
CHEMBL4524926 |
OBDepict
CH
3
N
O
H
N
H
O
O
HO
Cl
H
3
C
H
3
C
CH
3
|
IC50 |
= |
106.0 |
nM |
505.01 |
CN1CCOc2ccc([C@@H]3[C@@H](C(=O)O)c4ccccc4C(=O)N3c3ccc(C(C)(C)C)c(Cl)c3)cc21 |
Homo sapiens |
CHEMBL4385500 |
cell membrane format |
CHEMBL4450597 |
OBDepict
O
N
H
H
O
HO
Cl
S
H
3
C
CH
3
H
3
C
S
|
IC50 |
= |
384.0 |
nM |
524.11 |
CC(C)(C)c1ccc(N2C(=O)c3ccccc3[C@H](C(=O)O)[C@H]2c2ccc3c(c2)SCCS3)cc1Cl |
Homo sapiens |
CHEMBL4385500 |
cell membrane format |
CHEMBL4441285 |
OBDepict
CH
3
O
N
N
O
NH
2
N
H
N
H
O
N
O
O
N
H
3
C
H
3
C
|
IC50 |
= |
582.1 |
nM |
533.59 |
CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1ccccc1 |
Homo sapiens |
CHEMBL4325125 |
single protein format |
CHEMBL4588504 |
OBDepict
O
N
H
H
O
HO
Cl
O
H
3
C
CH
3
H
3
C
S
|
IC50 |
= |
670.0 |
nM |
508.04 |
CC(C)(C)c1ccc(N2C(=O)c3ccccc3[C@H](C(=O)O)[C@H]2c2ccc3c(c2)OCCS3)cc1Cl |
Homo sapiens |
CHEMBL4385500 |
cell membrane format |