molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4854665 |
|
IC50 |
< |
10.0 |
nM |
502.54 |
CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1 |
Homo sapiens |
CHEMBL4827621 |
single protein format |
CHEMBL4850503 |
OBDepict
CH
3
N
H
N
O
H
O
H
HO
H
N
H
HO
N
N
H
2
N
|
IC50 |
< |
10.0 |
nM |
504.59 |
CCNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(C5CCCC5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1 |
Homo sapiens |
CHEMBL4827621 |
single protein format |
CHEMBL4872977 |
OBDepict
CH
3
N
H
N
O
H
O
H
HO
H
N
H
F
N
O
N
H
2
N
H
3
C
|
IC50 |
< |
10.0 |
nM |
504.52 |
CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5ccc(C)o5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1 |
Homo sapiens |
CHEMBL4827621 |
single protein format |
CHEMBL4856985 |
OBDepict
CH
3
N
O
N
NH
2
N
N
H
O
H
F
H
H
HO
O
N
N
|
IC50 |
< |
10.0 |
nM |
531.55 |
Cc1coc(-c2cn([C@@H]3O[C@H](COc4ccc5ccc(N6CCC6)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1 |
Homo sapiens |
CHEMBL4827621 |
single protein format |
CHEMBL4861007 |
OBDepict
NH
2
N
N
N
N
N
H
O
H
F
H
H
HO
O
N
N
|
IC50 |
< |
10.0 |
nM |
516.54 |
Nc1ncnc2c1c(-n1cccn1)cn2[C@@H]1O[C@H](COc2ccc3ccc(N4CCC4)nc3c2)[C@@H](O)[C@@H]1F |
Homo sapiens |
CHEMBL4827621 |
single protein format |
CHEMBL4852677 |
OBDepict
NH
2
N
N
N
H
O
H
O
H
F
H
H
HO
O
N
N
|
IC50 |
< |
10.0 |
nM |
520.57 |
Nc1ncnc2c1c([C@@H]1CCCO1)cn2[C@@H]1O[C@H](COc2ccc3ccc(N4CCC4)nc3c2)[C@@H](O)[C@@H]1F |
Homo sapiens |
CHEMBL4827621 |
single protein format |