molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL304368 |
|
Ki |
= |
8.0 |
nM |
500.55 |
CC[C@H](C)[C@@H](C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)N[C@H](C=O)C(=O)O)C3)N(C)C(C)=O |
Homo sapiens |
CHEMBL684582 |
single protein format |
CHEMBL428244 |
OBDepict
O
NH
H
O
O
OH
H
N
O
H
HN
O
HN
H
H
3
C
H
H
3
C
O
CH
3
|
Ki |
= |
8.0 |
nM |
500.55 |
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)N[C@H](C=O)CC(=O)O)C3 |
Homo sapiens |
CHEMBL948945 |
single protein format |
CHEMBL71493 |
OBDepict
H
3
C
CH
3
H
N
H
H
N
H
O
O
H
O
N
H
N
H
O
N
N
H
|
Ki |
= |
13.0 |
nM |
556.67 |
CC[C@H](C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)NCc1cn[nH]c1)C3 |
Homo sapiens |
CHEMBL684582 |
single protein format |
CHEMBL305293 |
OBDepict
O
HN
H
O
O
OH
H
N
O
N
H
O
N
H
H
H
3
C
H
H
3
C
O
H
3
C
|
Ki |
= |
13.0 |
nM |
474.51 |
CC[C@H](C)[C@H](NC(C)=O)C(=O)NCC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@H](C=O)CC(=O)O |
Homo sapiens |
CHEMBL684582 |
single protein format |
CHEMBL303031 |
OBDepict
H
3
C
O
O
O
HN
H
O
O
OH
H
N
O
H
NH
O
N
H
CH
3
H
H
3
C
CH
3
O
CH
3
|
Ki |
= |
16.0 |
nM |
572.62 |
CC[C@H](C)[C@@H](C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)C(=O)OC)C3)N(C)C(C)=O |
Homo sapiens |
CHEMBL684582 |
single protein format |
CHEMBL306381 |
OBDepict
H
3
C
CH
3
H
N
H
H
3
C
NH
O
O
H
3
C
H
O
N
H
NH
O
N
N
N
H
|
Ki |
= |
38.0 |
nM |
495.58 |
CC[C@H](C)[C@@H](C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)NCc1cn[nH]n1)C3)N(C)C(C)=O |
Homo sapiens |
CHEMBL684582 |
single protein format |
CHEMBL303944 |
OBDepict
H
3
C
CH
3
H
N
H
H
3
C
NH
O
O
H
3
C
H
O
N
H
NH
O
N
N
N
N
H
|
Ki |
= |
74.0 |
nM |
496.57 |
CC[C@H](C)[C@@H](C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)NCc1nn[nH]n1)C3)N(C)C(C)=O |
Homo sapiens |
CHEMBL684582 |
single protein format |
CHEMBL304727 |
OBDepict
H
N
N
N
N
H
O
H
N
O
H
N
H
O
H
N
H
3
C
H
3
C
|
Ki |
= |
75.0 |
nM |
487.56 |
CC(C)[C@@H](C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)NCc1cn[nH]n1)C3)c1ccccn1 |
Homo sapiens |
CHEMBL684582 |
single protein format |
CHEMBL70602 |
OBDepict
O
HN
H
O
O
HO
H
N
O
NH
H
O
NH
H
O
OH
CH
3
H
CH
3
O
H
3
C
|
Ki |
= |
80.0 |
nM |
498.53 |
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CC(=O)O |
Homo sapiens |
CHEMBL684582 |
single protein format |
CHEMBL71937 |
OBDepict
O
N
H
H
O
O
HO
H
N
O
H
H
N
H
O
N
H
H
CH
3
H
CH
3
O
H
3
C
|
Ki |
= |
122.0 |
nM |
452.51 |
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CC[C@H]2CC[C@@H](C(=O)N[C@H](C=O)CC(=O)O)N2C1=O |
Homo sapiens |
CHEMBL684582 |
single protein format |
CHEMBL69482 |
OBDepict
O
N
H
H
O
O
HO
N
O
HN
O
NH
H
H
3
C
H
CH
3
O
H
3
C
|
Ki |
= |
133.0 |
nM |
422.44 |
CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1cccn(CC(=O)N[C@H](C=O)CC(=O)O)c1=O |
Homo sapiens |
CHEMBL684582 |
single protein format |
CHEMBL69424 |
OBDepict
O
HN
H
O
O
HO
H
N
O
N
H
O
N
H
H
H
3
C
H
H
3
C
O
H
3
C
|
Ki |
= |
270.0 |
nM |
426.47 |
CC[C@H](C)[C@H](NC(C)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CC(=O)O |
Homo sapiens |
CHEMBL684582 |
single protein format |
CHEMBL305418 |
OBDepict
H
3
C
CH
3
H
N
H
H
3
C
NH
O
O
H
3
C
H
O
N
H
NH
O
O
N
OH
|
Ki |
= |
360.0 |
nM |
511.58 |
CC[C@H](C)[C@@H](C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)NCc1cc(O)no1)C3)N(C)C(C)=O |
Homo sapiens |
CHEMBL684582 |
single protein format |
CHEMBL306449 |
OBDepict
CH
3
H
3
C
H
N
H
H
3
C
N
H
O
O
H
3
C
H
O
N
H
N
H
O
O
HO
|
Ki |
= |
580.0 |
nM |
486.57 |
CC[C@H](C)[C@@H](C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)NCCC(=O)O)C3)N(C)C(C)=O |
Homo sapiens |
CHEMBL684582 |
single protein format |