molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL49669 |
|
Ki |
= |
0.9 |
nM |
344.28 |
O=C(O)CC[C@H](NC(=O)N[C@@H](CCc1nnn[nH]1)C(=O)O)C(=O)O |
Homo sapiens |
CHEMBL680921 |
single protein format |
CHEMBL47009 |
OBDepict
HO
O
O
OH
P
O
OH
HO
|
Ki |
= |
1.4 |
nM |
226.12 |
O=C(O)CCC(CP(=O)(O)O)C(=O)O |
Homo sapiens |
CHEMBL680921 |
single protein format |
CHEMBL298530 |
OBDepict
HO
O
N
H
H
O
OH
N
H
O
H
O
HO
|
Ki |
= |
2.1 |
nM |
324.29 |
O=C(O)CC[C@H](NC(=O)N[C@H](C(=O)O)c1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL680921 |
single protein format |
CHEMBL297489 |
OBDepict
O
HN
N
H
H
H
O
HO
O
OH
O
HO
OH
|
Ki |
= |
3.0 |
nM |
354.31 |
O=C(O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)O |
Homo sapiens |
CHEMBL680921 |
single protein format |
CHEMBL47058 |
OBDepict
N
N
N
N
N
HN
H
O
HO
N
H
O
H
O
OH
O
OH
|
Ki |
= |
5.3 |
nM |
397.35 |
N#CCCn1nnnc1CC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O |
Homo sapiens |
CHEMBL680921 |
single protein format |
CHEMBL50489 |
OBDepict
O
HN
N
H
H
H
O
OH
O
OH
O
HO
HO
|
Ki |
= |
5.9 |
nM |
340.29 |
O=C(O)CC[C@H](NC(=O)N[C@H](C(=O)O)c1ccc(O)cc1)C(=O)O |
Homo sapiens |
CHEMBL680921 |
single protein format |
CHEMBL46005 |
OBDepict
H
N
H
O
OH
N
H
O
O
OH
H
O
OH
O
OH
|
Ki |
= |
8.0 |
nM |
320.25 |
O=C(O)CC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O |
Homo sapiens |
CHEMBL680921 |
single protein format |
CHEMBL415916 |
OBDepict
H
HN
O
HO
HN
O
H
O
OH
O
OH
|
Ki |
= |
12.0 |
nM |
338.32 |
O=C(O)CC[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O |
Homo sapiens |
CHEMBL680921 |
single protein format |
CHEMBL416650 |
OBDepict
OH
O
N
H
H
O
OH
N
H
O
H
O
OH
H
3
C
H
O
OH
|
Ki |
= |
14.4 |
nM |
334.28 |
C[C@@H](C[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O |
Homo sapiens |
CHEMBL680921 |
single protein format |
CHEMBL49271 |
OBDepict
O
N
H
HN
H
H
O
HO
O
OH
N
N
N
N
N
N
H
N
H
N
|
Ki |
= |
14.9 |
nM |
368.31 |
O=C(N[C@@H](CCc1nnn[nH]1)C(=O)O)N[C@@H](CCc1nnn[nH]1)C(=O)O |
Homo sapiens |
CHEMBL680921 |
single protein format |
CHEMBL47416 |
OBDepict
O
N
H
HN
H
H
O
HO
O
OH
H
O
OH
O
OH
|
Ki |
= |
95.3 |
nM |
410.38 |
O=C(O)CC[C@H](NC(=O)N[C@@H](C[C@@H](Cc1ccccc1)C(=O)O)C(=O)O)C(=O)O |
Homo sapiens |
CHEMBL680921 |
single protein format |
CHEMBL3348570 |
OBDepict
OH
O
N
H
H
O
OH
N
H
O
H
N
N
N
N
O
OH
|
Ki |
= |
335.0 |
nM |
344.28 |
O=C(O)CC[C@H](NC(=O)N[C@@H](CCC(=O)O)C1N=NN=N1)C(=O)O |
Homo sapiens |
CHEMBL680921 |
single protein format |
CHEMBL295457 |
OBDepict
H
N
H
O
HO
N
H
O
H
O
OH
H
O
HO
H
O
HO
|
Ki |
= |
392.0 |
nM |
500.5 |
O=C(N[C@@H](C[C@H](Cc1ccccc1)C(=O)O)C(=O)O)N[C@@H](C[C@@H](Cc1ccccc1)C(=O)O)C(=O)O |
Homo sapiens |
CHEMBL680921 |
single protein format |
CHEMBL45640 |
OBDepict
O
NH
N
H
H
3
C
CH
3
O
OH
O
HO
O
HO
O
OH
|
Ki |
= |
939.0 |
nM |
348.31 |
C[C@@](CCC(=O)O)(NC(=O)N[C@@](C)(CCC(=O)O)C(=O)O)C(=O)O |
Homo sapiens |
CHEMBL680921 |
single protein format |