molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1289650 |
|
Ki |
= |
30.0 |
nM |
372.33 |
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(CO)nn1 |
Homo sapiens |
CHEMBL2390087 |
single protein format |
CHEMBL1289754 |
OBDepict
HO
N
N
N
HO
H
HO
H
H
O
H
N
H
H
OH
O
OH
O
CH
3
|
Ki |
= |
60.0 |
nM |
386.36 |
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(CCO)nn1 |
Homo sapiens |
CHEMBL2390087 |
single protein format |
CHEMBL4076203 |
OBDepict
CH
3
N
H
O
H
H
OH
H
O
OH
H
HO
H
O
HO
N
N
N
|
Ki |
= |
260.0 |
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 |
CHEMBL4059394 |
assay format |
CHEMBL4076203 |
OBDepict
CH
3
N
H
O
H
H
OH
H
O
OH
H
HO
H
O
HO
N
N
N
|
IC50 |
= |
520.0 |
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 |
CHEMBL4059398 |
assay format |
CHEMBL1289650 |
OBDepict
HO
N
N
N
HO
H
HO
H
H
O
H
N
H
H
OH
O
OH
O
CH
3
|
IC50 |
= |
740.0 |
nM |
372.33 |
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(CO)nn1 |
Homo sapiens |
CHEMBL2390086 |
single protein format |
CHEMBL1289754 |
OBDepict
HO
N
N
N
HO
H
HO
H
H
O
H
N
H
H
OH
O
OH
O
CH
3
|
IC50 |
= |
810.0 |
nM |
386.36 |
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(CCO)nn1 |
Homo sapiens |
CHEMBL2390090 |
single protein format |
CHEMBL4062382 |
OBDepict
CH
3
N
H
O
H
H
OH
H
O
OH
H
HO
H
O
HO
N
N
N
O
|
IC50 |
= |
970.0 |
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 |
CHEMBL4059398 |
assay format |
CHEMBL96712 |
OBDepict
HO
HO
H
HO
H
H
O
H
HN
H
OH
O
OH
O
H
3
C
|
Ki |
= |
1000.0 |
nM |
291.26 |
CC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO |
Homo sapiens |
CHEMBL2330586 |
single protein format |