molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL100259 |
|
Ki |
= |
0.0012 |
nM |
244.2 |
O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 |
Homo sapiens |
CHEMBL665308 |
single protein format |
CHEMBL610997 |
OBDepict
OH
H
O
H
OH
N
H
HO
O
N
H
|
Ki |
= |
25.0 |
nM |
244.25 |
O=C1NCC=CCN1C1O[C@H](CO)[C@@H](O)[C@H]1O |
Homo sapiens |
CHEMBL872484 |
assay format |
CHEMBL2311128 |
OBDepict
OH
H
O
H
OH
H
N
H
HO
O
N
H
HO
|
Ki |
= |
100.0 |
nM |
248.24 |
O=C1NC(O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
Homo sapiens |
CHEMBL665297 |
tissue-based format |
CHEMBL3658871 |
OBDepict
OH
H
O
H
OH
H
N
H
HO
O
N
H
|
IC50 |
= |
101.0 |
nM |
244.25 |
O=C1NCC=CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
Homo sapiens |
CHEMBL3706053 |
single protein format |
CHEMBL2311128 |
OBDepict
OH
H
O
H
OH
H
N
H
HO
O
N
H
HO
|
IC50 |
= |
113.0 |
nM |
248.24 |
O=C1NC(O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
Homo sapiens |
CHEMBL3706053 |
single protein format |
CHEMBL3658873 |
OBDepict
OH
H
O
H
OH
H
N
H
F
O
N
H
|
IC50 |
= |
140.0 |
nM |
246.24 |
O=C1NCC=CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F |
Homo sapiens |
CHEMBL3706053 |
single protein format |
CHEMBL3237548 |
OBDepict
OH
H
O
H
OH
H
N
H
F
O
N
H
H
HO
|
IC50 |
= |
200.0 |
nM |
250.23 |
O=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F |
Homo sapiens |
CHEMBL3241962 |
single protein format |
CHEMBL3665107 |
OBDepict
OH
H
O
H
HO
N
H
F
O
N
H
H
HO
|
IC50 |
= |
200.0 |
nM |
250.23 |
O=C1N[C@H](O)CCN1C1O[C@H](CO)[C@@H](O)[C@@H]1F |
Homo sapiens |
CHEMBL3705845 |
single protein format |
CHEMBL3658870 |
OBDepict
OH
H
O
H
OH
H
N
F
F
O
N
H
|
IC50 |
= |
237.0 |
nM |
264.23 |
O=C1NCC=CCN1[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F |
Homo sapiens |
CHEMBL3706053 |
single protein format |
CHEMBL1236475 |
OBDepict
OH
H
O
H
OH
H
N
H
HO
O
N
H
H
HO
|
IC50 |
= |
340.0 |
nM |
248.24 |
O=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
Homo sapiens |
CHEMBL3241962 |
single protein format |
CHEMBL3665108 |
OBDepict
HO
H
O
H
OH
N
F
F
O
N
H
OH
|
IC50 |
= |
400.0 |
nM |
268.22 |
O=C1NC(O)CCN1C1O[C@H](CO)[C@@H](O)C1(F)F |
Homo sapiens |
CHEMBL3705845 |
single protein format |
CHEMBL3665114 |
OBDepict
OH
H
O
H
HO
N
H
F
O
N
H
H
HO
|
IC50 |
= |
400.0 |
nM |
250.23 |
O=C1N[C@H](O)CCN1C1O[C@H](CO)[C@@H](O)[C@H]1F |
Homo sapiens |
CHEMBL3705845 |
single protein format |
CHEMBL2367576 |
OBDepict
OH
H
O
H
OH
H
N
H
HO
O
N
H
|
Ki |
= |
400.0 |
nM |
246.26 |
O=C1NCCCCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
Homo sapiens |
CHEMBL665297 |
tissue-based format |
CHEMBL3237547 |
OBDepict
OH
H
O
H
OH
H
N
F
F
O
N
H
H
HO
|
IC50 |
= |
400.0 |
nM |
268.22 |
O=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F |
Homo sapiens |
CHEMBL3241962 |
single protein format |
CHEMBL3237549 |
OBDepict
OH
H
O
H
OH
H
N
H
F
O
N
H
H
HO
|
IC50 |
= |
400.0 |
nM |
250.23 |
O=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F |
Homo sapiens |
CHEMBL3241962 |
single protein format |
CHEMBL3665106 |
OBDepict
OH
H
O
H
HO
N
F
F
O
N
H
H
HO
|
IC50 |
= |
400.0 |
nM |
268.22 |
O=C1N[C@H](O)CCN1C1O[C@H](CO)[C@@H](O)C1(F)F |
Homo sapiens |
CHEMBL3705845 |
single protein format |
CHEMBL2311129 |
OBDepict
OH
H
O
H
OH
H
N
H
HO
O
N
H
HO
|
Ki |
= |
900.0 |
nM |
262.26 |
O=C1NCC(O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
Homo sapiens |
CHEMBL665297 |
tissue-based format |