molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL36045 |
|
Ki |
= |
300.0 |
nM |
435.32 |
O=C(O)C(CCCCn1cnc2c1NC=NCC2O)Cc1ccccc1Br |
Homo sapiens |
CHEMBL644200 |
single protein format |
CHEMBL35929 |
OBDepict
HO
O
N
N
N
H
N
HO
|
Ki |
= |
410.0 |
nM |
356.43 |
O=C(O)C(CCCCn1cnc2c1NC=NCC2O)Cc1ccccc1 |
Homo sapiens |
CHEMBL644200 |
single protein format |
CHEMBL38113 |
OBDepict
HO
O
Br
N
N
N
H
N
HO
|
Ki |
= |
790.0 |
nM |
435.32 |
O=C(O)C(CCCCn1cnc2c1NC=NCC2O)Cc1cccc(Br)c1 |
Homo sapiens |
CHEMBL644200 |
single protein format |
CHEMBL290887 |
OBDepict
Br
CH
3
O
HO
N
N
NH
N
HO
|
Ki |
= |
800.0 |
nM |
449.35 |
CC(CCCCn1cnc2c1NC=NCC2O)(Cc1cccc(Br)c1)C(=O)O |
Homo sapiens |
CHEMBL644200 |
single protein format |
CHEMBL417506 |
OBDepict
H
3
C
CH
3
O
HO
H
3
C
CH
3
N
N
N
H
N
OH
|
Ki |
= |
860.0 |
nM |
378.52 |
CC(C)CC(CCCCn1cnc2c1NC=NCC2O)(CC(C)C)C(=O)O |
Homo sapiens |
CHEMBL644200 |
single protein format |
CHEMBL284799 |
OBDepict
HO
N
N
NH
N
O
HO
|
Ki |
= |
920.0 |
nM |
418.5 |
O=C(O)C(CCCCn1cnc2c1NC=NCC2O)(c1ccccc1)c1ccccc1 |
Homo sapiens |
CHEMBL644200 |
single protein format |
CHEMBL37713 |
OBDepict
OH
N
N
HN
N
O
OH
|
Ki |
= |
970.0 |
nM |
368.44 |
O=C(O)C1(CCCCn2cnc3c2NC=NCC3O)Cc2ccccc2C1 |
Homo sapiens |
CHEMBL644200 |
single protein format |