molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4091389 |
|
Ki |
= |
20.0 |
nM |
594.29 |
Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])OC(C(=O)N3CCCCC3)P(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)n1.[Na+].[Na+].[Na+] |
Homo sapiens |
CHEMBL4006076 |
single protein format |
CHEMBL4063545 |
OBDepict
NH
2
N
N
O
H
O
H
HO
H
H
HO
O
P
O
O
_
O
P
O
_
O
_
O
N
O
+
Na
+
Na
+
Na
|
Ki |
= |
60.0 |
nM |
580.27 |
Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])OC(C(=O)N3CCCC3)P(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)n1.[Na+].[Na+].[Na+] |
Homo sapiens |
CHEMBL4006076 |
single protein format |
CHEMBL4081024 |
OBDepict
NH
2
N
N
O
H
O
H
HO
H
H
HO
O
P
O
O
_
O
P
O
_
O
_
O
+
Na
+
Na
+
Na
|
Ki |
= |
200.0 |
nM |
559.25 |
Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])OC(c3ccccc3)P(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)n1.[Na+].[Na+].[Na+] |
Homo sapiens |
CHEMBL4006076 |
single protein format |
CHEMBL4083608 |
OBDepict
H
2
N
N
N
O
H
O
H
OH
H
H
HO
O
P
O
O
_
O
P
O
_
O
_
O
N
O
O
+
Na
+
Na
+
Na
|
Ki |
= |
224.0 |
nM |
594.25 |
Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])OC(CN3C(=O)CCC3=O)P(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)n1.[Na+].[Na+].[Na+] |
Homo sapiens |
CHEMBL4006076 |
single protein format |
CHEMBL1170899 |
OBDepict
O
O
O
OH
H
H
3
C
H
3
C
H
CH
3
CH
3
H
OH
|
IC50 |
= |
610.0 |
nM |
386.49 |
C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc(C=O)c(C=O)c1O2 |
Homo sapiens |
CHEMBL3598449 |
single protein format |