molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL515637 |
|
IC50 |
= |
50.0 |
nM |
430.46 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3ccccc3c2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL990832 |
single protein format |
CHEMBL148649 |
OBDepict
H
3
C
N
O
O
H
2
N
O
H
3
C
O
HO
|
IC50 |
= |
90.0 |
nM |
394.43 |
CCc1c(C(=O)C(N)=O)c2c(OC(C)C(=O)O)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL990832 |
single protein format |
CHEMBL514705 |
OBDepict
H
3
C
H
3
C
N
O
O
NH
2
O
O
OH
|
IC50 |
= |
90.0 |
nM |
458.51 |
CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3ccccc3c2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL990832 |
single protein format |
CHEMBL148674 |
OBDepict
H
3
C
N
O
O
H
2
N
O
O
OH
|
IC50 |
= |
130.0 |
nM |
380.4 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL990832 |
single protein format |
CHEMBL506485 |
OBDepict
CH
3
H
3
C
N
O
O
NH
2
O
N
H
O
S
O
O
|
IC50 |
= |
290.0 |
nM |
597.69 |
CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cc3ccccc3c2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL990832 |
single protein format |
CHEMBL504813 |
OBDepict
H
3
C
H
3
C
N
O
O
NH
2
O
O
OH
|
IC50 |
= |
550.0 |
nM |
408.45 |
CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL990832 |
single protein format |
CHEMBL446349 |
OBDepict
CH
3
N
O
O
NH
2
O
HN
O
S
O
O
|
IC50 |
= |
550.0 |
nM |
569.64 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cc3ccccc3c2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL990832 |
single protein format |
CHEMBL478820 |
OBDepict
H
3
C
H
3
C
N
O
O
NH
2
O
O
HO
|
IC50 |
= |
970.0 |
nM |
484.55 |
CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1Cc1ccccc1-c1ccccc1 |
Homo sapiens |
CHEMBL990832 |
single protein format |