molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4076203 |
|
Ki |
= |
280.0 |
nM |
494.5 |
CC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 |
Homo sapiens |
CHEMBL4059395 |
assay format |
CHEMBL4099818 |
OBDepict
CH
3
N
H
O
H
H
NH
H
O
OH
H
NH
H
2
N
HO
H
O
HO
N
N
N
|
Ki |
= |
320.0 |
nM |
535.56 |
CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 |
Homo sapiens |
CHEMBL4059395 |
assay format |
CHEMBL4099818 |
OBDepict
CH
3
N
H
O
H
H
NH
H
O
OH
H
NH
H
2
N
HO
H
O
HO
N
N
N
|
IC50 |
= |
580.0 |
nM |
535.56 |
CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 |
Homo sapiens |
CHEMBL4059399 |
assay format |
CHEMBL4064112 |
OBDepict
CH
3
N
H
O
H
H
NH
H
O
OH
H
NH
H
2
N
HO
H
O
HO
N
N
N
O
OH
|
IC50 |
= |
610.0 |
nM |
503.47 |
CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)Cn1cc(-c2ccc(C(=O)O)cc2)nn1 |
Homo sapiens |
CHEMBL4059399 |
assay format |
CHEMBL222813 |
OBDepict
HO
HO
H
HO
H
H
O
H
N
H
H
N
H
O
OH
O
CH
3
HN
NH
2
|
Ki |
= |
620.0 |
nM |
332.31 |
CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO |
Homo sapiens |
CHEMBL4059395 |
assay format |
CHEMBL4076203 |
OBDepict
CH
3
N
H
O
H
H
OH
H
O
OH
H
HO
H
O
HO
N
N
N
|
IC50 |
= |
700.0 |
nM |
494.5 |
CC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 |
Homo sapiens |
CHEMBL4059399 |
assay format |
CHEMBL4062382 |
OBDepict
CH
3
N
H
O
H
H
OH
H
O
OH
H
HO
H
O
HO
N
N
N
O
|
IC50 |
= |
1000.0 |
nM |
510.5 |
CC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)Cn1cc(-c2ccc(Oc3ccccc3)cc2)nn1 |
Homo sapiens |
CHEMBL4059399 |
assay format |