molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3410246 |
|
IC50 |
= |
25.0 |
nM |
391.5 |
CSc1cccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)c1 |
Homo sapiens |
CHEMBL3413789 |
single protein format |
CHEMBL3410245 |
OBDepict
O
N
H
N
N
HO
S
CH
3
CH
3
|
IC50 |
= |
120.0 |
nM |
381.5 |
CC(C)c1ccc(NC(=O)CCc2nc(O)c3c4c(sc3n2)CCC4)cc1 |
Homo sapiens |
CHEMBL3413791 |
single protein format |
CHEMBL3410244 |
OBDepict
H
3
C
S
NH
O
O
NH
O
|
IC50 |
= |
180.0 |
nM |
322.43 |
CCS(=O)(=O)Nc1ccc(C(=O)NC2CC3CCC2C3)cc1 |
Homo sapiens |
CHEMBL3413791 |
single protein format |
CHEMBL3410400 |
OBDepict
O
NH
H
3
C
N
CH
3
N
HN
N
O
CH
3
N
|
IC50 |
= |
350.0 |
nM |
402.46 |
CC(=O)Nc1ccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)cc1 |
Homo sapiens |
CHEMBL3413791 |
single protein format |
CHEMBL3410256 |
OBDepict
O
N
H
F
CH
3
N
CH
3
N
N
N
|
IC50 |
= |
620.0 |
nM |
363.4 |
Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1cccc(F)c1 |
Homo sapiens |
CHEMBL3413791 |
single protein format |
CHEMBL3410398 |
OBDepict
O
N
H
H
3
C
N
CH
3
N
F
F
F
N
N
|
IC50 |
= |
830.0 |
nM |
413.4 |
Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1cccc(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL3413791 |
single protein format |