molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL366356 |
|
Ki |
= |
390.0 |
nM |
322.23 |
O=C(O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1 |
Homo sapiens |
CHEMBL1018085 |
cell-based format |
CHEMBL1162299 |
OBDepict
O
N
CH
3
H
N
O
H
O
H
HO
H
O
P
O
OH
P
O
O
HO
P
O
OH
HO
|
Ki |
= |
600.0 |
nM |
480.2 |
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)CP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O |
Homo sapiens |
CHEMBL1024687 |
single protein format |
CHEMBL1162298 |
OBDepict
NH
2
N
N
O
H
O
H
HO
H
O
P
O
OH
P
O
O
HO
P
O
OH
HO
|
Ki |
= |
900.0 |
nM |
465.19 |
Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)CP(=O)(O)OP(=O)(O)O)O2)c(=O)n1 |
Homo sapiens |
CHEMBL1024687 |
single protein format |
CHEMBL483492 |
OBDepict
NH
2
N
CH
3
O
N
H
O
H
F
H
O
P
O
O
OH
P
O
O
OH
P
O
HO
OH
|
IC50 |
= |
1000.0 |
nM |
483.18 |
Cc1cn([C@@H]2C[C@@H](F)[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1N |
Homo sapiens |
CHEMBL658099 |
single protein format |
CHEMBL2092835 |
OBDepict
NH
2
N
N
O
H
O
H
F
H
O
P
O
O
OH
P
O
O
OH
P
O
HO
OH
|
IC50 |
= |
1000.0 |
nM |
469.15 |
Nc1ccn([C@@H]2C[C@@H](F)[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1 |
Homo sapiens |
CHEMBL658099 |
single protein format |
CHEMBL1162300 |
OBDepict
H
2
N
N
N
H
N
O
N
H
O
H
HO
H
O
P
O
OH
P
O
O
HO
P
O
OH
HO
|
Ki |
= |
1000.0 |
nM |
505.21 |
Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)CP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1 |
Homo sapiens |
CHEMBL1024687 |
single protein format |