molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4066274 |
|
IC50 |
= |
280.0 |
nM |
552.37 |
O=C(COc1ccc(C(=O)Nc2ccccc2)cc1)NCc1ccc(OP(=O)(O)O)c(OP(=O)(O)O)c1 |
Homo sapiens |
CHEMBL4055339 |
single protein format |
CHEMBL4077592 |
OBDepict
O
HN
O
O
O
P
P
O
OH
OH
N
H
O
O
OH
HO
Cl
|
IC50 |
= |
330.0 |
nM |
586.81 |
O=C(COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)NCc1ccc(OP(=O)(O)O)c(OP(=O)(O)O)c1 |
Homo sapiens |
CHEMBL4055339 |
single protein format |
CHEMBL4093849 |
OBDepict
O
HN
O
O
O
P
P
O
OH
OH
N
H
O
O
OH
HO
F
|
IC50 |
= |
350.0 |
nM |
570.36 |
O=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cc1)NCc1ccc(OP(=O)(O)O)c(OP(=O)(O)O)c1 |
Homo sapiens |
CHEMBL4055339 |
single protein format |
CHEMBL4075745 |
OBDepict
O
HN
O
O
O
P
P
O
OH
OH
N
H
O
O
OH
HO
Cl
|
IC50 |
= |
460.0 |
nM |
586.81 |
O=C(COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1)NCc1ccc(OP(=O)(O)O)c(OP(=O)(O)O)c1 |
Homo sapiens |
CHEMBL4055339 |
single protein format |
CHEMBL4549938 |
OBDepict
F
N
N
N
N
HN
N
O
N
O
HO
|
Ki |
= |
600.0 |
nM |
305.23 |
O=C(O)c1nonc1NCn1nnnc1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL4357304 |
single protein format |
CHEMBL4062751 |
OBDepict
O
HN
O
O
O
P
P
O
OH
OH
N
H
O
O
OH
HO
F
|
IC50 |
= |
620.0 |
nM |
570.36 |
O=C(COc1ccc(C(=O)Nc2cccc(F)c2)cc1)NCc1ccc(OP(=O)(O)O)c(OP(=O)(O)O)c1 |
Homo sapiens |
CHEMBL4055339 |
single protein format |