molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL266802 |
|
IC50 |
= |
2.0 |
nM |
542.7 |
CSCC[C@H](NC(=O)Nc1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL820116 |
single protein format |
CHEMBL267388 |
OBDepict
CH
3
S
NH
H
N
H
O
NH
O
H
HN
O
CH
3
H
3
C
H
O
HO
Cl
|
IC50 |
= |
2.0 |
nM |
563.12 |
CSCC[C@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL820116 |
single protein format |
CHEMBL7753 |
OBDepict
CH
3
S
N
H
H
N
H
O
N
H
O
H
NH
O
CH
3
H
3
C
O
HO
O
CH
3
|
IC50 |
= |
2.0 |
nM |
558.7 |
COc1ccc(NC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)NC(Cc2ccccc2)C(=O)O)cc1 |
Homo sapiens |
CHEMBL820116 |
single protein format |
CHEMBL267179 |
OBDepict
CH
3
S
NH
H
N
H
O
O
H
NH
O
CH
3
H
3
C
H
O
OH
|
IC50 |
= |
20.0 |
nM |
437.56 |
CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL820116 |
single protein format |
CHEMBL7520 |
OBDepict
H
3
C
S
HN
H
N
H
O
HN
O
H
NH
O
H
3
C
CH
3
H
O
OH
|
IC50 |
= |
30.0 |
nM |
528.68 |
CSCC[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL820116 |
single protein format |
CHEMBL267179 |
OBDepict
CH
3
S
NH
H
N
H
O
O
H
NH
O
CH
3
H
3
C
H
O
OH
|
Ki |
= |
42.0 |
nM |
437.56 |
CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL887899 |
single protein format |
CHEMBL6997 |
OBDepict
H
3
C
S
N
H
H
N
H
O
N
H
O
H
HN
O
H
3
C
CH
3
H
H
3
C
O
OH
|
IC50 |
= |
100.0 |
nM |
542.7 |
CSCC[C@H](NC(=O)Nc1cccc(C)c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL820116 |
single protein format |
CHEMBL265408 |
OBDepict
CH
3
S
NH
H
N
H
O
NH
O
H
NH
O
CH
3
H
3
C
H
CH
3
O
OH
|
IC50 |
= |
300.0 |
nM |
508.69 |
CCCCNC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL820116 |
single protein format |
CHEMBL266089 |
OBDepict
CH
3
S
NH
H
N
H
O
NH
O
H
NH
O
CH
2
H
3
C
CH
3
H
3
C
H
O
OH
|
IC50 |
= |
300.0 |
nM |
492.64 |
C=C(C)NC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL820116 |
single protein format |
CHEMBL7226 |
OBDepict
CH
3
S
N
H
H
N
H
O
N
H
O
H
NH
O
CH
3
H
3
C
H
O
HO
|
IC50 |
= |
800.0 |
nM |
542.7 |
CSCC[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL820116 |
single protein format |
CHEMBL6779 |
OBDepict
H
3
C
S
NH
H
N
H
O
N
H
O
H
HN
O
CH
3
CH
3
H
O
HO
|
IC50 |
= |
900.0 |
nM |
586.8 |
CSCC[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL820116 |
single protein format |
CHEMBL268823 |
OBDepict
H
3
C
S
HN
H
N
H
O
HN
O
H
NH
O
H
3
C
CH
3
H
3
C
CH
3
H
O
OH
|
IC50 |
= |
1000.0 |
nM |
508.69 |
CSCC[C@H](NC(=O)NCC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL820116 |
single protein format |
CHEMBL7214 |
OBDepict
H
3
C
S
N
H
H
HN
O
NH
O
H
N
H
O
CH
3
CH
3
CH
3
H
O
HO
|
IC50 |
= |
1000.0 |
nM |
480.63 |
CCNC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL820116 |
single protein format |