molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4792978 |
|
IC50 |
= |
180.0 |
nM |
310.4 |
Cc1ccc(-c2cnc(N)c(C(=O)NC3CCCCC3)n2)cc1 |
Homo sapiens |
CHEMBL4714985 |
single protein format |
CHEMBL4741913 |
OBDepict
CH
3
N
H
N
N
CH
2
N
N
O
CH
3
|
IC50 |
= |
190.0 |
nM |
281.32 |
C=Cc1cn2ncc(-c3ccnc(OC)c3)c2nc1NC |
Homo sapiens |
CHEMBL4714985 |
single protein format |
CHEMBL4752199 |
OBDepict
H
3
C
O
N
N
N
N
N
H
H
3
C
O
H
3
C
|
IC50 |
= |
310.0 |
nM |
285.31 |
CNc1nc2c(-c3ccnc(OC)c3)cnn2cc1OC |
Homo sapiens |
CHEMBL4714985 |
single protein format |
CHEMBL4749011 |
OBDepict
CH
3
O
N
N
N
N
N
CH
3
N
O
H
3
C
|
IC50 |
= |
530.0 |
nM |
336.36 |
COc1cc(-c2cnn3cc(OC)c(-c4cnn(C)c4)nc23)ccn1 |
Homo sapiens |
CHEMBL4714985 |
single protein format |
CHEMBL4744988 |
OBDepict
CH
3
N
H
N
N
N
N
O
CH
3
|
IC50 |
= |
630.0 |
nM |
295.35 |
CNc1nc2c(-c3ccnc(OC)c3)cnn2cc1C1CC1 |
Homo sapiens |
CHEMBL4714985 |
single protein format |
CHEMBL4741185 |
OBDepict
CH
3
N
H
N
N
CH
3
N
N
O
CH
3
|
IC50 |
= |
700.0 |
nM |
283.34 |
CCc1cn2ncc(-c3ccnc(OC)c3)c2nc1NC |
Homo sapiens |
CHEMBL4714985 |
single protein format |
CHEMBL4747422 |
OBDepict
CH
3
O
N
N
N
N
N
CH
3
N
O
H
3
C
H
3
C
CH
3
|
IC50 |
= |
800.0 |
nM |
378.44 |
COc1cn2ncc(-c3ccnc(OC(C)(C)C)c3)c2nc1-c1cnn(C)c1 |
Homo sapiens |
CHEMBL4714985 |
single protein format |
CHEMBL4744618 |
OBDepict
CH
3
O
N
N
N
N
N
CH
3
N
O
|
IC50 |
= |
860.0 |
nM |
362.39 |
COc1cn2ncc(-c3ccnc(OC4CC4)c3)c2nc1-c1cnn(C)c1 |
Homo sapiens |
CHEMBL4714985 |
single protein format |
CHEMBL4763122 |
OBDepict
H
3
C
O
N
N
N
N
H
3
C
O
H
3
C
|
IC50 |
= |
960.0 |
nM |
284.32 |
CCc1nc2c(-c3ccnc(OC)c3)cnn2cc1OC |
Homo sapiens |
CHEMBL4714985 |
single protein format |