molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL515637 |
|
IC50 |
= |
35.0 |
nM |
430.46 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3ccccc3c2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL990834 |
single protein format |
CHEMBL148649 |
OBDepict
H
3
C
N
O
O
H
2
N
O
H
3
C
O
HO
|
IC50 |
= |
44.0 |
nM |
394.43 |
CCc1c(C(=O)C(N)=O)c2c(OC(C)C(=O)O)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL990834 |
single protein format |
CHEMBL514692 |
OBDepict
H
3
C
N
O
O
H
2
N
O
N
H
O
S
O
O
|
IC50 |
= |
100.0 |
nM |
519.58 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL990834 |
single protein format |
CHEMBL332993 |
OBDepict
H
3
C
N
O
O
H
2
N
O
O
OH
|
IC50 |
= |
100.0 |
nM |
456.5 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1Cc1ccccc1-c1ccccc1 |
Homo sapiens |
CHEMBL990834 |
single protein format |
CHEMBL446349 |
OBDepict
CH
3
N
O
O
NH
2
O
HN
O
S
O
O
|
IC50 |
= |
140.0 |
nM |
569.64 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cc3ccccc3c2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL990834 |
single protein format |
CHEMBL4205008 |
OBDepict
OH
O
CH
3
N
N
O
NH
2
O
F
F
F
|
IC50 |
= |
180.0 |
nM |
407.35 |
CC(Cc1ccnc(-n2c(C(N)=O)cc3ccc(OC(F)(F)F)cc32)c1)C(=O)O |
Homo sapiens |
CHEMBL4199511 |
single protein format |
CHEMBL357979 |
OBDepict
HO
O
O
N
O
CH
3
O
H
2
N
|
IC50 |
= |
270.0 |
nM |
442.47 |
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1-c1ccccc1 |
Homo sapiens |
CHEMBL917131 |
assay format |
CHEMBL1644549 |
OBDepict
CH
3
O
NH
O
H
O
HO
H
3
C
CH
3
|
IC50 |
= |
440.0 |
nM |
383.57 |
CCCCCCCCCCCCCCC(=O)C(=O)N[C@@H](CC(C)C)C(=O)O |
Homo sapiens |
CHEMBL1648030 |
single protein format |
CHEMBL208315 |
OBDepict
H
3
C
N
O
O
H
2
N
O
CH
3
O
OH
|
IC50 |
= |
500.0 |
nM |
394.43 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc(C)cc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL862130 |
single protein format |
CHEMBL148674 |
OBDepict
H
3
C
N
O
O
H
2
N
O
O
OH
|
IC50 |
= |
500.0 |
nM |
380.4 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL862130 |
single protein format |
CHEMBL4214052 |
OBDepict
OH
O
CH
3
N
O
NH
2
O
F
F
F
|
IC50 |
= |
510.0 |
nM |
406.36 |
CC(Cc1cccc(-n2c(C(N)=O)cc3ccc(OC(F)(F)F)cc32)c1)C(=O)O |
Homo sapiens |
CHEMBL4199511 |
single protein format |
CHEMBL4205511 |
OBDepict
OH
O
CH
3
N
N
O
NH
2
O
F
F
F
|
IC50 |
= |
510.0 |
nM |
407.35 |
CC(Cc1cccc(-n2c(C(N)=O)cc3ccc(OC(F)(F)F)cc32)n1)C(=O)O |
Homo sapiens |
CHEMBL4199511 |
single protein format |
CHEMBL485601 |
OBDepict
CH
3
O
OH
OH
CH
3
O
HO
H
3
C
|
IC50 |
= |
530.0 |
nM |
504.75 |
CCCCCCCCCCCC(=O)c1c(O)c(C)c(O)c(C(=O)CCCCCCCCCCC)c1O |
Homo sapiens |
CHEMBL989794 |
single protein format |
CHEMBL220842 |
OBDepict
CH
3
O
O
O
N
N
O
H
O
CH
3
|
IC50 |
= |
550.0 |
nM |
588.87 |
CCCCCCCCCCCCCCOC(COCCCCCCCCCC)COc1ccc(-c2noc(=O)[nH]2)cc1 |
Homo sapiens |
CHEMBL917131 |
assay format |
CHEMBL4213094 |
OBDepict
OH
O
N
N
O
H
2
N
O
F
F
F
|
IC50 |
= |
720.0 |
nM |
393.32 |
NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1cc(CCC(=O)O)ccn1 |
Homo sapiens |
CHEMBL4199511 |
single protein format |
CHEMBL208429 |
OBDepict
OH
O
O
CH
3
N
O
CH
3
O
H
2
N
|
IC50 |
= |
800.0 |
nM |
380.4 |
Cc1cc(OCC(=O)O)c2c(C(=O)C(N)=O)c(C)n(Cc3ccccc3)c2c1 |
Homo sapiens |
CHEMBL862130 |
single protein format |
CHEMBL346196 |
OBDepict
OH
O
O
N
O
H
3
C
O
NH
2
|
IC50 |
= |
800.0 |
nM |
366.37 |
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL862130 |
single protein format |