molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2063869 |
|
Ki |
= |
14.0 |
nM |
498.65 |
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1 |
Homo sapiens |
CHEMBL2066545 |
single protein format |
CHEMBL2063868 |
OBDepict
H
3
C
N
H
H
3
C
H
HN
O
H
N
O
H
HN
O
S
N
N
|
Ki |
= |
16.0 |
nM |
492.61 |
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)c1ccccc1 |
Homo sapiens |
CHEMBL2066545 |
single protein format |
CHEMBL2063862 |
OBDepict
H
3
C
NH
H
3
C
H
N
H
O
H
N
O
CH
3
H
3
C
H
N
H
O
|
Ki |
= |
30.0 |
nM |
478.64 |
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1)C(C)C |
Homo sapiens |
CHEMBL2066545 |
single protein format |
CHEMBL2063863 |
OBDepict
CH
3
N
H
H
3
C
H
NH
O
H
N
O
S
H
HN
O
|
Ki |
= |
30.0 |
nM |
536.74 |
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CSC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1)C1CCCCC1 |
Homo sapiens |
CHEMBL2066545 |
single protein format |
CHEMBL2063866 |
OBDepict
CH
3
N
H
H
3
C
H
NH
O
H
N
O
H
HN
O
|
Ki |
= |
70.0 |
nM |
518.7 |
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1)C1CCCCC1 |
Homo sapiens |
CHEMBL2066545 |
single protein format |
CHEMBL2063865 |
OBDepict
OH
OH
H
NH
H
3
C
H
NH
O
H
N
O
H
3
C
CH
3
H
NH
O
|
Ki |
= |
80.0 |
nM |
538.69 |
CC(C)[C@H](NC(=O)[C@H](C)NC[C@H](O)CO)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |
Homo sapiens |
CHEMBL2066545 |
single protein format |
CHEMBL2063867 |
OBDepict
CH
3
HN
CH
3
H
N
H
O
H
N
O
H
N
H
O
Cl
|
Ki |
= |
90.0 |
nM |
463.02 |
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(Cl)cc1)C1CCCCC1 |
Homo sapiens |
CHEMBL2066545 |
single protein format |
CHEMBL2063864 |
OBDepict
CH
3
H
3
C
HN
H
N
O
O
H
HN
CH
3
H
NH
O
|
Ki |
= |
460.0 |
nM |
518.7 |
CC(C)[C@H](NC(=O)[C@H](C)NCC1CC1)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |
Homo sapiens |
CHEMBL2066545 |
single protein format |