molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3410246 |
|
IC50 |
= |
70.0 |
nM |
391.5 |
CSc1cccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)c1 |
Homo sapiens |
CHEMBL3413787 |
single protein format |
CHEMBL3410398 |
OBDepict
O
N
H
H
3
C
N
CH
3
N
F
F
F
N
N
|
IC50 |
= |
190.0 |
nM |
413.4 |
Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1cccc(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL3413790 |
single protein format |
CHEMBL3410256 |
OBDepict
O
N
H
F
CH
3
N
CH
3
N
N
N
|
IC50 |
= |
240.0 |
nM |
363.4 |
Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1cccc(F)c1 |
Homo sapiens |
CHEMBL3413790 |
single protein format |
CHEMBL1555019 |
OBDepict
CH
3
O
N
H
O
CH
3
N
CH
3
N
N
N
|
IC50 |
= |
280.0 |
nM |
375.43 |
COc1cccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)c1 |
Homo sapiens |
CHEMBL3413790 |
single protein format |
CHEMBL3410257 |
OBDepict
O
N
H
F
CH
3
N
CH
3
N
N
N
|
IC50 |
= |
550.0 |
nM |
363.4 |
Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1ccccc1F |
Homo sapiens |
CHEMBL3413790 |
single protein format |
CHEMBL3410400 |
OBDepict
O
NH
H
3
C
N
CH
3
N
HN
N
O
CH
3
N
|
IC50 |
= |
640.0 |
nM |
402.46 |
CC(=O)Nc1ccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)cc1 |
Homo sapiens |
CHEMBL3413790 |
single protein format |
CHEMBL3410249 |
OBDepict
O
N
H
CH
3
N
CH
3
N
N
N
|
IC50 |
= |
850.0 |
nM |
345.41 |
Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1ccccc1 |
Homo sapiens |
CHEMBL3413790 |
single protein format |