molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1550982 |
|
IC50 |
= |
595.1 |
nM |
392.85 |
O=C1CCCC2=C1C(c1ccccc1Cl)N=C(Nc1nc3ccccc3o1)N2 |
Homo sapiens |
CHEMBL3887026 |
single protein format |
CHEMBL3982313 |
OBDepict
O
N
H
N
N
N
H
Br
N
O
|
IC50 |
= |
650.6 |
nM |
438.29 |
O=C1CCCC2=C1C(c1ncccc1Br)N=C(Nc1nc3ccccc3o1)N2 |
Homo sapiens |
CHEMBL3887026 |
single protein format |
CHEMBL2017798 |
OBDepict
N
S
S
O
NH
OH
OH
|
IC50 |
= |
700.0 |
nM |
370.45 |
N#CC1=C(SCc2ccccc2)SC(c2cc(O)ccc2O)NC1=O |
Homo sapiens |
CHEMBL2020225 |
single protein format |
CHEMBL3923544 |
OBDepict
O
N
H
N
N
H
Br
N
O
|
IC50 |
= |
749.2 |
nM |
437.3 |
O=C1CCCC2=C1C(c1ccccc1Br)N=C(Nc1nc3ccccc3o1)N2 |
Homo sapiens |
CHEMBL3887026 |
single protein format |
CHEMBL2017800 |
OBDepict
N
S
S
O
HN
HO
N
OH
O
|
IC50 |
= |
900.0 |
nM |
455.56 |
N#CC1=C(SCc2cccc(N3CCOCC3)c2)SC(c2cc(O)ccc2O)NC1=O |
Homo sapiens |
CHEMBL2020225 |
single protein format |