molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL371420 |
|
Ki |
= |
0.46 |
nM |
267.37 |
CC(C)N(C#N)NC(=O)O[C@@H](C)CC1CCCCC1 |
Homo sapiens |
CHEMBL830240 |
single protein format |
CHEMBL190121 |
OBDepict
H
O
H
3
C
NH
O
N
CH
3
N
|
Ki |
= |
1.4 |
nM |
239.32 |
C[C@@H](CC1CCCCC1)OC(=O)NN(C)C#N |
Homo sapiens |
CHEMBL876371 |
single protein format |
CHEMBL113948 |
OBDepict
CH
3
HN
H
O
O
O
H
H
3
C
H
3
C
|
IC50 |
= |
18.0 |
nM |
305.42 |
CCCC[C@@H](C=O)NC(=O)O[C@H](Cc1ccccc1)C(C)C |
Homo sapiens |
CHEMBL868301 |
single protein format |
CHEMBL183812 |
OBDepict
N
N
O
O
H
3
C
H
|
IC50 |
= |
40.0 |
nM |
250.34 |
C[C@@H](CC1CCCCC1)OC(=O)C1CCN1C#N |
Homo sapiens |
CHEMBL828384 |
single protein format |
CHEMBL114161 |
OBDepict
CH
3
N
H
H
O
O
O
CH
3
H
|
IC50 |
= |
40.0 |
nM |
277.36 |
CCCC[C@@H](C=O)NC(=O)O[C@@H](C)Cc1ccccc1 |
Homo sapiens |
CHEMBL868301 |
single protein format |
CHEMBL514348 |
OBDepict
H
3
C
H
2
N
H
N
H
O
H
S
O
O
|
Ki |
= |
137.0 |
nM |
400.54 |
CCC[C@H](N)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1 |
Homo sapiens |
CHEMBL959581 |
single protein format |
CHEMBL492175 |
OBDepict
Cl
N
H
N
H
O
H
3
C
O
Cl
+
N
O
_
O
|
IC50 |
= |
145.0 |
nM |
392.2 |
CC(=O)c1c(Nc2ccc(Cl)cc2)[nH]c2c(Cl)cc([N+](=O)[O-])cc2c1=O |
Homo sapiens |
CHEMBL1021960 |
assay format |
CHEMBL203663 |
OBDepict
H
3
C
N
H
H
N
O
O
NH
H
N
O
CH
3
CH
3
O
|
IC50 |
= |
190.0 |
nM |
432.57 |
CCCC[C@@H](/C=N/NC(=O)N1CCOCC1)NC(=O)O[C@H](Cc1ccccc1)C(C)C |
Homo sapiens |
CHEMBL868301 |
single protein format |
CHEMBL374508 |
OBDepict
H
3
C
CH
3
N
H
H
N
H
O
O
H
O
H
O
OH
N
H
2
N
H
2
N
|
IC50 |
= |
190.0 |
nM |
357.41 |
CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)O)C(=O)NCCCCN=C(N)N |
Homo sapiens |
CHEMBL1004872 |
single protein format |
CHEMBL204605 |
OBDepict
CH
3
N
H
H
N
O
O
HN
CH
3
H
N
O
O
|
IC50 |
= |
230.0 |
nM |
404.51 |
CCCC[C@@H](/C=N/NC(=O)N1CCOCC1)NC(=O)O[C@@H](C)Cc1ccccc1 |
Homo sapiens |
CHEMBL868301 |
single protein format |
CHEMBL180839 |
OBDepict
N
N
O
O
H
3
C
H
|
IC50 |
= |
580.0 |
nM |
264.37 |
C[C@@H](CC1CCCCC1)OC(=O)C1CCCN1C#N |
Homo sapiens |
CHEMBL828384 |
single protein format |