molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3953841 |
|
IC50 |
= |
33.0 |
nM |
418.46 |
Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCO[C@@H](CO)C4)cc3)n2)n1 |
Homo sapiens |
CHEMBL3887150 |
single protein format |
CHEMBL3917084 |
OBDepict
CH
3
N
H
2
N
N
N
N
N
H
N
N
N
O
|
IC50 |
= |
51.0 |
nM |
457.54 |
Cc1ncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(C5COC5)CC4)cc3)n2)nc1N |
Homo sapiens |
CHEMBL3887150 |
single protein format |
CHEMBL3986824 |
OBDepict
H
2
N
N
N
N
N
N
H
N
N
N
O
|
IC50 |
= |
80.0 |
nM |
443.52 |
Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(C5COC5)CC4)cc3)n2)n1 |
Homo sapiens |
CHEMBL3887150 |
single protein format |
CHEMBL3978560 |
OBDepict
NH
2
N
N
N
N
H
N
N
O
|
IC50 |
= |
101.0 |
nM |
387.45 |
Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1 |
Homo sapiens |
CHEMBL3887150 |
single protein format |
CHEMBL3902654 |
OBDepict
HO
O
N
N
H
N
N
N
N
N
O
N
H
2
N
|
IC50 |
= |
120.0 |
nM |
503.57 |
Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(C5COC5)CC4)c(OCCO)c3)n2)n1 |
Homo sapiens |
CHEMBL3887150 |
single protein format |
CHEMBL3973635 |
OBDepict
OH
N
OH
N
N
H
N
N
N
N
N
NH
2
|
IC50 |
= |
128.0 |
nM |
475.56 |
Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(CC(CO)CO)CC4)cc3)n2)n1 |
Homo sapiens |
CHEMBL3887150 |
single protein format |
CHEMBL3929647 |
OBDepict
H
2
N
N
N
N
H
3
C
N
N
H
N
N
N
O
|
IC50 |
= |
157.0 |
nM |
457.54 |
Cc1c(-c2cncc(N)n2)nc(Nc2ccc(N3CCN(C4COC4)CC3)cc2)c2nccn12 |
Homo sapiens |
CHEMBL3887150 |
single protein format |
CHEMBL3911668 |
OBDepict
OH
O
N
N
H
N
N
N
N
N
O
N
NH
2
CH
3
|
IC50 |
= |
167.0 |
nM |
517.59 |
Cc1ncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(C5COC5)CC4)c(OCCO)c3)n2)nc1N |
Homo sapiens |
CHEMBL3887150 |
single protein format |
CHEMBL3952825 |
OBDepict
CH
3
N
NH
2
N
N
N
H
N
N
O
|
IC50 |
= |
250.0 |
nM |
401.47 |
Cc1ncc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)cc1N |
Homo sapiens |
CHEMBL3887150 |
single protein format |
CHEMBL3962740 |
OBDepict
CH
3
O
O
N
H
CH
3
N
N
N
N
H
2
N
|
IC50 |
= |
734.0 |
nM |
362.39 |
COc1ccc(Nc2nc(-c3ccc(N)nc3)cn3ccnc23)cc1OC |
Homo sapiens |
CHEMBL3887150 |
single protein format |
CHEMBL3981576 |
OBDepict
CH
3
O
O
N
H
CH
3
N
N
N
H
2
N
|
IC50 |
= |
809.0 |
nM |
361.41 |
COc1ccc(Nc2nc(-c3cccc(N)c3)cn3ccnc23)cc1OC |
Homo sapiens |
CHEMBL3887150 |
single protein format |