molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3781913 |
|
IC50 |
= |
21.0 |
nM |
400.49 |
COc1ccccc1N1CCCN(c2ncnc3c2cnn3-c2ccccc2)CC1 |
Homo sapiens |
CHEMBL3782731 |
cell-based format |
CHEMBL3781149 |
OBDepict
OH
N
N
N
N
N
N
|
IC50 |
= |
60.0 |
nM |
372.43 |
Oc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 |
Homo sapiens |
CHEMBL3782731 |
cell-based format |
CHEMBL3781331 |
OBDepict
CH
3
O
N
O
H
2
N
N
N
N
N
N
|
IC50 |
= |
100.0 |
nM |
429.48 |
COc1ccc(C(N)=O)cc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 |
Homo sapiens |
CHEMBL3782731 |
cell-based format |
CHEMBL3780717 |
OBDepict
N
N
N
N
N
N
N
|
IC50 |
= |
220.0 |
nM |
381.44 |
N#Cc1cccc(N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c1 |
Homo sapiens |
CHEMBL3782731 |
cell-based format |
CHEMBL3780372 |
OBDepict
CH
3
O
N
N
N
N
N
N
N
|
IC50 |
= |
510.0 |
nM |
387.45 |
COc1ccncc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 |
Homo sapiens |
CHEMBL3782731 |
cell-based format |
CHEMBL3780756 |
OBDepict
CH
3
O
N
N
N
N
N
|
IC50 |
= |
600.0 |
nM |
385.47 |
COc1ccccc1N1CCN(c2ccnc3c2cnn3-c2ccccc2)CC1 |
Homo sapiens |
CHEMBL3782731 |
cell-based format |
CHEMBL3780470 |
OBDepict
CH
3
O
N
N
N
N
N
N
O
F
CH
3
|
IC50 |
= |
880.0 |
nM |
434.48 |
COc1ccccc1N1CCN(c2ncnc3c2cnn3-c2cc(F)ccc2OC)CC1 |
Homo sapiens |
CHEMBL3782731 |
cell-based format |
CHEMBL3780772 |
OBDepict
CH
3
O
N
N
N
N
N
N
O
H
3
C
|
IC50 |
= |
900.0 |
nM |
416.49 |
COc1cccc(-n2ncc3c(N4CCN(c5ccccc5OC)CC4)ncnc32)c1 |
Homo sapiens |
CHEMBL3782731 |
cell-based format |
CHEMBL3781835 |
OBDepict
CH
3
O
N
N
N
N
N
N
N
|
IC50 |
= |
950.0 |
nM |
387.45 |
COc1cccnc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 |
Homo sapiens |
CHEMBL3782731 |
cell-based format |
CHEMBL3781347 |
OBDepict
CH
3
O
N
N
N
N
N
N
H
3
C
|
IC50 |
= |
1000.0 |
nM |
400.49 |
COc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccccc2C)CC1 |
Homo sapiens |
CHEMBL3782731 |
cell-based format |