molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL275040 |
|
Ki |
= |
10.0 |
nM |
213.23 |
C=C(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O |
Homo sapiens |
CHEMBL701553 |
single protein format |
CHEMBL59284 |
OBDepict
CH
3
O
H
O
HO
H
2
N
H
O
HO
|
Ki |
= |
42.0 |
nM |
293.32 |
COc1ccccc1/C=C/C[C@H](C[C@H](N)C(=O)O)C(=O)O |
Homo sapiens |
CHEMBL701555 |
cell-based format |
CHEMBL13076 |
OBDepict
O
N
H
N
H
N
+
N
O
_
O
N
F
F
F
N
H
O
O
O
HO
|
Ki |
= |
46.0 |
nM |
546.42 |
O=C(O)Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3ccc(CNC(=O)Nc4ccc([N+](=O)[O-])cc4)c3)cc21 |
Homo sapiens |
CHEMBL683952 |
cell-based format |
CHEMBL58590 |
OBDepict
H
O
OH
H
2
N
H
O
HO
Cl
|
Ki |
= |
423.0 |
nM |
297.74 |
N[C@@H](C[C@@H](C/C=C/c1ccc(Cl)cc1)C(=O)O)C(=O)O |
Homo sapiens |
CHEMBL701553 |
single protein format |
CHEMBL299180 |
OBDepict
H
NH
2
O
HO
O
OH
CH
3
CH
3
|
Ki |
= |
518.0 |
nM |
201.22 |
CC(C)/C=C(C[C@H](N)C(=O)O)C(=O)O |
Homo sapiens |
CHEMBL701554 |
cell-based format |
CHEMBL416685 |
OBDepict
OH
O
N
O
N
O
N
H
+
N
O
_
O
N
|
Ki |
= |
530.0 |
nM |
503.52 |
O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(CN4CCC(c5ccccc5)CC4)c3)cc21 |
Homo sapiens |
CHEMBL683952 |
cell-based format |
CHEMBL301536 |
OBDepict
HO
O
H
NH
2
H
O
OH
|
Ki |
= |
617.0 |
nM |
313.35 |
N[C@@H](C[C@@H](C/C=C/c1ccc2ccccc2c1)C(=O)O)C(=O)O |
Homo sapiens |
CHEMBL701553 |
single protein format |
CHEMBL63861 |
OBDepict
HO
O
N
O
N
O
N
H
+
N
O
_
O
N
N
|
Ki |
= |
680.0 |
nM |
518.53 |
O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(CN4CCN(Cc5ccccc5)CC4)c3)cc21 |
Homo sapiens |
CHEMBL683952 |
cell-based format |
CHEMBL575060 |
OBDepict
OH
O
NH
2
H
O
OH
|
Ki |
= |
789.0 |
nM |
147.13 |
N[C@@H](CCC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL701553 |
single protein format |