molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL514692 |
|
IC50 |
= |
7.0 |
nM |
519.58 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL990830 |
single protein format |
CHEMBL515637 |
OBDepict
H
3
C
N
O
O
H
2
N
O
O
OH
|
IC50 |
= |
7.0 |
nM |
430.46 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3ccccc3c2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL990830 |
single protein format |
CHEMBL148649 |
OBDepict
H
3
C
N
O
O
H
2
N
O
H
3
C
O
HO
|
IC50 |
= |
9.0 |
nM |
394.43 |
CCc1c(C(=O)C(N)=O)c2c(OC(C)C(=O)O)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL990830 |
single protein format |
CHEMBL332993 |
OBDepict
H
3
C
N
O
O
H
2
N
O
O
OH
|
IC50 |
= |
10.0 |
nM |
456.5 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1Cc1ccccc1-c1ccccc1 |
Homo sapiens |
CHEMBL990830 |
single protein format |
CHEMBL446349 |
OBDepict
CH
3
N
O
O
NH
2
O
HN
O
S
O
O
|
IC50 |
= |
16.0 |
nM |
569.64 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cc3ccccc3c2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL990830 |
single protein format |
CHEMBL514841 |
OBDepict
CH
3
O
N
O
O
H
2
N
CH
3
|
IC50 |
= |
20.0 |
nM |
386.45 |
CCc1c(C(=O)C(N)=O)c2c(OC)cc3ccccc3c2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL990830 |
single protein format |
CHEMBL208315 |
OBDepict
H
3
C
N
O
O
H
2
N
O
CH
3
O
OH
|
IC50 |
= |
50.0 |
nM |
394.43 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc(C)cc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL862127 |
single protein format |
CHEMBL148674 |
OBDepict
H
3
C
N
O
O
H
2
N
O
O
OH
|
IC50 |
= |
50.0 |
nM |
380.4 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL862127 |
single protein format |
CHEMBL346196 |
OBDepict
OH
O
O
N
O
H
3
C
O
NH
2
|
IC50 |
= |
75.0 |
nM |
366.37 |
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL862127 |
single protein format |
CHEMBL517821 |
OBDepict
H
3
C
N
O
O
H
2
N
O
O
CH
3
|
IC50 |
= |
90.0 |
nM |
454.53 |
CCc1c(C(=O)C(N)=O)c2c(OCC(C)=O)cccn2c1Cc1ccccc1-c1ccccc1 |
Homo sapiens |
CHEMBL990830 |
single protein format |
CHEMBL208429 |
OBDepict
OH
O
O
CH
3
N
O
CH
3
O
H
2
N
|
IC50 |
= |
125.0 |
nM |
380.4 |
Cc1cc(OCC(=O)O)c2c(C(=O)C(N)=O)c(C)n(Cc3ccccc3)c2c1 |
Homo sapiens |
CHEMBL862127 |
single protein format |
CHEMBL514705 |
OBDepict
H
3
C
H
3
C
N
O
O
NH
2
O
O
OH
|
IC50 |
= |
260.0 |
nM |
458.51 |
CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3ccccc3c2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL990830 |
single protein format |
CHEMBL506485 |
OBDepict
CH
3
H
3
C
N
O
O
NH
2
O
N
H
O
S
O
O
|
IC50 |
= |
840.0 |
nM |
597.69 |
CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cc3ccccc3c2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL990830 |
single protein format |