molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4281823 |
|
IC50 |
= |
26.0 |
nM |
481.48 |
CCn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL4261419 |
single protein format |
CHEMBL2441342 |
OBDepict
O
N
N
F
F
F
F
N
CH
3
H
2
N
N
N
|
IC50 |
= |
37.0 |
nM |
470.43 |
Cn1cc(-c2ccc3c(c2F)CCN3C(=O)Cc2cccc(C(F)(F)F)n2)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL2443948 |
single protein format |
CHEMBL2441346 |
OBDepict
O
N
N
N
CH
3
F
CH
3
N
H
3
C
NH
2
N
N
|
IC50 |
= |
61.0 |
nM |
419.46 |
Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 |
Homo sapiens |
CHEMBL2443948 |
single protein format |
CHEMBL2171122 |
OBDepict
Cl
N
O
N
H
3
C
NH
2
N
N
|
IC50 |
= |
214.0 |
nM |
417.9 |
Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(Cl)c2)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL2172950 |
single protein format |
CHEMBL2171124 |
OBDepict
O
N
F
F
F
N
CH
3
H
2
N
N
N
|
IC50 |
= |
420.0 |
nM |
451.45 |
Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL2172950 |
single protein format |
CHEMBL2441340 |
OBDepict
O
N
N
F
CH
3
N
H
3
C
NH
2
N
N
|
IC50 |
= |
460.0 |
nM |
416.46 |
Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 |
Homo sapiens |
CHEMBL2443948 |
single protein format |