molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL370038 |
|
Ki |
= |
2.24 |
nM |
254.21 |
Cn1nnc(-c2onc(O)c2C[C@H](N)C(=O)O)n1 |
Homo sapiens |
CHEMBL876377 |
cell-based format |
CHEMBL276815 |
OBDepict
OH
O
H
2
N
H
CH
3
O
HO
N
|
Ki |
= |
20.6 |
nM |
186.17 |
Cc1onc(O)c1C[C@H](N)C(=O)O |
Homo sapiens |
CHEMBL876377 |
cell-based format |
CHEMBL13378 |
OBDepict
OH
O
H
2
N
CH
3
O
HO
N
|
Ki |
= |
21.0 |
nM |
186.17 |
Cc1onc(O)c1CC(N)C(=O)O |
Homo sapiens |
CHEMBL698776 |
cell-based format |
CHEMBL313747 |
OBDepict
H
2
N
HN
NH
N
H
O
N
H
O
HN
H
O
O
NH
2
OH
HO
|
IC50 |
= |
30.0 |
nM |
565.72 |
NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O |
Homo sapiens |
CHEMBL1108139 |
cell-based format |
CHEMBL370941 |
OBDepict
CH
3
N
N
N
N
O
N
HO
H
2
N
O
HO
|
Ki |
= |
44.8 |
nM |
268.23 |
CCn1nnc(-c2onc(O)c2CC(N)C(=O)O)n1 |
Homo sapiens |
CHEMBL876377 |
cell-based format |
CHEMBL429594 |
OBDepict
HO
O
NH
2
H
N
S
HO
N
|
Ki |
= |
160.0 |
nM |
189.2 |
N[C@@H](Cc1nsnc1O)C(=O)O |
Homo sapiens |
CHEMBL934444 |
cell-based format |
CHEMBL222519 |
OBDepict
_
O
+
N
O
N
S
N
O
O
NH
2
HO
HO
|
Ki |
= |
900.0 |
nM |
336.29 |
NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1nc(O)c(O)nc12 |
Homo sapiens |
CHEMBL697510 |
single protein format |