molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1688631 |
|
Ki |
= |
630.0 |
nM |
544.72 |
CC(C)[C@H](NC(=S)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NCCC1CCCCC1)[C@@H](C)O)C(=O)O |
Homo sapiens |
CHEMBL1695088 |
single protein format |
CHEMBL1688606 |
OBDepict
HO
O
NH
H
N
H
O
H
OH
H
3
C
H
N
H
O
H
NH
O
O
HO
H
O
HO
CH
3
H
3
C
|
Ki |
= |
750.0 |
nM |
572.66 |
CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NCCC1CCCCC1)[C@@H](C)O)C(=O)O |
Homo sapiens |
CHEMBL1695088 |
single protein format |
CHEMBL1688601 |
OBDepict
HO
O
NH
H
N
H
O
H
OH
H
3
C
H
N
H
O
CH
3
H
HN
O
H
O
OH
H
3
C
CH
3
|
Ki |
= |
940.0 |
nM |
528.65 |
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NCCC1CCCCC1)[C@@H](C)O)C(=O)O |
Homo sapiens |
CHEMBL1024689 |
assay format |
CHEMBL2372220 |
OBDepict
OH
O
HN
H
N
H
O
H
OH
CH
3
H
N
H
O
H
3
C
H
F
N
H
O
F
H
O
OH
CH
3
CH
3
|
Ki |
= |
980.0 |
nM |
558.58 |
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NCCc1ccc(F)c(F)c1)[C@@H](C)O)C(=O)O |
Homo sapiens |
CHEMBL1024689 |
assay format |
CHEMBL1688637 |
OBDepict
OH
O
N
H
H
N
H
O
H
N
H
O
OH
H
3
C
H
H
3
C
H
HN
O
H
O
OH
CH
3
CH
3
|
Ki |
= |
1000.0 |
nM |
572.66 |
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NCCc1ccc2ccccc2c1)[C@@H](C)O)C(=O)O |
Homo sapiens |
CHEMBL1024689 |
assay format |
CHEMBL2372223 |
OBDepict
OH
O
HN
H
N
H
O
H
OH
CH
3
H
N
H
O
H
3
C
H
NH
O
H
O
OH
CH
3
H
3
C
|
Ki |
= |
1000.0 |
nM |
514.62 |
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NCC1CCCCC1)[C@@H](C)O)C(=O)O |
Homo sapiens |
CHEMBL1024689 |
assay format |