molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL121915 |
|
Ki |
= |
0.24 |
nM |
325.06 |
N[C@@H](Cn1cc(I)c(=O)[nH]c1=O)C(=O)O |
Homo sapiens |
CHEMBL698076 |
cell-based format |
CHEMBL331644 |
OBDepict
HO
O
NH
2
H
N
N
O
N
Br
H
O
|
Ki |
= |
2.9 |
nM |
279.05 |
N[C@@H](Cn1nc(Br)c(=O)[nH]c1=O)C(=O)O |
Homo sapiens |
CHEMBL698076 |
cell-based format |
CHEMBL275040 |
OBDepict
OH
O
H
H
H
HN
CH
2
CH
3
O
HO
|
Ki |
= |
8.0 |
nM |
213.23 |
C=C(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O |
Homo sapiens |
CHEMBL701557 |
single protein format |
CHEMBL333964 |
OBDepict
HO
O
NH
2
H
N
O
N
Br
H
O
|
Ki |
= |
9.1 |
nM |
278.06 |
N[C@@H](Cn1cc(Br)c(=O)[nH]c1=O)C(=O)O |
Homo sapiens |
CHEMBL698076 |
cell-based format |
CHEMBL121553 |
OBDepict
HO
O
NH
2
H
N
N
O
N
I
H
O
|
Ki |
= |
19.8 |
nM |
326.05 |
N[C@@H](Cn1nc(I)c(=O)[nH]c1=O)C(=O)O |
Homo sapiens |
CHEMBL698076 |
cell-based format |
CHEMBL331696 |
OBDepict
HO
O
NH
2
H
N
N
O
N
Cl
H
O
|
Ki |
= |
30.9 |
nM |
234.6 |
N[C@@H](Cn1nc(Cl)c(=O)[nH]c1=O)C(=O)O |
Homo sapiens |
CHEMBL698076 |
cell-based format |
CHEMBL121388 |
OBDepict
HO
O
NH
2
H
N
O
N
Cl
H
O
|
Ki |
= |
57.1 |
nM |
233.61 |
N[C@@H](Cn1cc(Cl)c(=O)[nH]c1=O)C(=O)O |
Homo sapiens |
CHEMBL698076 |
cell-based format |
CHEMBL121191 |
OBDepict
OH
O
H
2
N
H
N
O
N
+
N
H
O
_
O
O
|
Ki |
= |
393.0 |
nM |
244.16 |
N[C@@H](Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O)C(=O)O |
Homo sapiens |
CHEMBL698076 |
cell-based format |
CHEMBL575060 |
OBDepict
OH
O
NH
2
H
O
OH
|
Ki |
= |
750.0 |
nM |
147.13 |
N[C@@H](CCC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL701557 |
single protein format |