molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4857782 |
|
IC50 |
= |
9.0 |
nM |
468.5 |
CCc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1 |
Homo sapiens |
CHEMBL4822226 |
single protein format |
CHEMBL4858308 |
OBDepict
CH
3
HO
H
HN
O
CH
3
N
NH
2
HN
O
H
3
C
CH
3
|
IC50 |
= |
18.0 |
nM |
446.55 |
CCc1cccc([C@@H](O)C(=O)Nc2ccc(-c3cnc(N)c(C(=O)NC(C)C)c3)c(C)c2)c1 |
Homo sapiens |
CHEMBL4822226 |
single protein format |
CHEMBL4848143 |
OBDepict
H
3
C
N
H
CH
3
O
H
2
N
N
Cl
NH
O
HO
H
F
F
|
IC50 |
= |
23.0 |
nM |
474.9 |
CC(C)NC(=O)c1cc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2Cl)cnc1N |
Homo sapiens |
CHEMBL4822226 |
single protein format |
CHEMBL4869882 |
OBDepict
F
F
OH
H
N
H
O
CH
3
N
H
2
N
N
H
O
|
IC50 |
= |
27.0 |
nM |
452.46 |
Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC2CC2)c1 |
Homo sapiens |
CHEMBL4822226 |
single protein format |
CHEMBL4862478 |
OBDepict
CH
3
NH
H
3
C
O
NH
2
N
CH
3
HN
O
OH
H
F
F
|
IC50 |
= |
33.0 |
nM |
454.48 |
Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1 |
Homo sapiens |
CHEMBL4822226 |
single protein format |
CHEMBL4853221 |
OBDepict
CH
3
NH
H
3
C
O
NH
2
N
CH
3
HN
O
OH
H
Cl
|
IC50 |
= |
40.0 |
nM |
452.94 |
Cc1cc(NC(=O)[C@H](O)c2cccc(Cl)c2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1 |
Homo sapiens |
CHEMBL4822226 |
single protein format |
CHEMBL4848359 |
OBDepict
CH
3
N
H
O
N
NH
2
N
CH
3
HN
O
OH
H
F
F
|
IC50 |
= |
40.0 |
nM |
427.41 |
CNC(=O)c1nc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2C)cnc1N |
Homo sapiens |
CHEMBL4822226 |
single protein format |
CHEMBL4861671 |
OBDepict
CH
3
NH
H
3
C
O
N
NH
2
N
CH
3
HN
O
OH
H
F
F
|
IC50 |
= |
42.0 |
nM |
455.47 |
Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC(C)C)n1 |
Homo sapiens |
CHEMBL4822226 |
single protein format |
CHEMBL4863698 |
OBDepict
H
3
C
N
H
O
H
2
N
N
CH
3
NH
O
HO
H
F
F
|
IC50 |
= |
45.0 |
nM |
440.45 |
CCNC(=O)c1cc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2C)cnc1N |
Homo sapiens |
CHEMBL4822226 |
single protein format |
CHEMBL4870100 |
OBDepict
CH
3
O
H
3
C
O
NH
2
N
CH
3
HN
O
OH
H
F
F
|
IC50 |
= |
49.0 |
nM |
455.46 |
Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)OC(C)C)c1 |
Homo sapiens |
CHEMBL4822226 |
single protein format |
CHEMBL4870780 |
OBDepict
CH
3
N
H
CH
3
O
NH
2
N
CH
3
N
H
O
OH
H
CH
3
|
IC50 |
= |
54.0 |
nM |
432.52 |
Cc1cccc([C@@H](O)C(=O)Nc2ccc(-c3cnc(N)c(C(=O)NC(C)C)c3)c(C)c2)c1 |
Homo sapiens |
CHEMBL4822226 |
single protein format |
CHEMBL4875875 |
OBDepict
CH
3
N
H
O
NH
2
N
CH
3
HN
O
OH
H
F
F
|
IC50 |
= |
58.0 |
nM |
426.42 |
CNC(=O)c1cc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2C)cnc1N |
Homo sapiens |
CHEMBL4822226 |
single protein format |
CHEMBL4851480 |
OBDepict
H
3
C
N
H
CH
3
O
H
2
N
N
F
NH
O
HO
H
F
F
|
IC50 |
= |
72.0 |
nM |
458.44 |
CC(C)NC(=O)c1cc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2F)cnc1N |
Homo sapiens |
CHEMBL4822226 |
single protein format |
CHEMBL4876496 |
OBDepict
F
F
HO
H
HN
O
CH
3
N
NH
2
HN
O
CH
3
CH
3
H
3
C
|
IC50 |
= |
114.0 |
nM |
468.5 |
Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC(C)(C)C)c1 |
Homo sapiens |
CHEMBL4822226 |
single protein format |
CHEMBL4854504 |
OBDepict
CH
3
NH
H
3
C
O
N
CH
3
HN
O
OH
H
F
F
|
IC50 |
= |
181.0 |
nM |
439.46 |
Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cncc(C(=O)NC(C)C)c1 |
Homo sapiens |
CHEMBL4822226 |
single protein format |
CHEMBL4852735 |
OBDepict
CH
3
NH
H
3
C
O
NH
2
N
CH
3
HN
O
OH
H
F
F
|
IC50 |
= |
187.0 |
nM |
454.48 |
Cc1cc(NC(=O)[C@@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1 |
Homo sapiens |
CHEMBL4822226 |
single protein format |
CHEMBL4870495 |
OBDepict
CH
3
NH
H
3
C
O
NH
2
N
CH
3
HN
O
OH
H
|
IC50 |
= |
198.0 |
nM |
418.5 |
Cc1cc(NC(=O)[C@H](O)c2ccccc2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1 |
Homo sapiens |
CHEMBL4822226 |
single protein format |
CHEMBL4866245 |
OBDepict
H
3
C
N
H
CH
3
O
H
2
N
N
H
3
C
N
H
O
|
IC50 |
= |
307.0 |
nM |
402.5 |
Cc1cc(NC(=O)Cc2ccccc2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1 |
Homo sapiens |
CHEMBL4822226 |
single protein format |
CHEMBL4846663 |
OBDepict
CH
3
NH
H
3
C
O
NH
2
N
HN
O
OH
H
F
F
|
IC50 |
= |
313.0 |
nM |
440.45 |
CC(C)NC(=O)c1cc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2)cnc1N |
Homo sapiens |
CHEMBL4822226 |
single protein format |
CHEMBL4870565 |
OBDepict
H
3
C
O
NH
N
O
HO
H
H
2
N
NH
O
CH
3
H
3
C
F
F
|
IC50 |
= |
366.0 |
nM |
470.48 |
COc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1 |
Homo sapiens |
CHEMBL4822226 |
single protein format |
CHEMBL4849149 |
OBDepict
CH
3
NH
H
3
C
O
CH
3
N
CH
3
HN
O
OH
H
F
F
|
IC50 |
= |
638.0 |
nM |
453.49 |
Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(C)c(C(=O)NC(C)C)c1 |
Homo sapiens |
CHEMBL4822226 |
single protein format |