molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL573107 |
|
IC50 |
= |
33.0 |
nM |
391.42 |
CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1C |
Homo sapiens |
CHEMBL4307651 |
cell-based format |
CHEMBL4435359 |
OBDepict
CH
3
N
F
F
OH
F
F
HO
|
IC50 |
= |
150.0 |
nM |
349.28 |
Cc1ncc(-c2cc(F)c(O)c(F)c2)cc1-c1cc(F)c(O)c(F)c1 |
Homo sapiens |
CHEMBL4307651 |
cell-based format |
CHEMBL4436323 |
OBDepict
NH
2
N
F
F
OH
F
F
HO
|
IC50 |
= |
260.0 |
nM |
350.27 |
Nc1ncc(-c2cc(F)c(O)c(F)c2)cc1-c1cc(F)c(O)c(F)c1 |
Homo sapiens |
CHEMBL4307651 |
cell-based format |
CHEMBL4452098 |
OBDepict
NH
2
N
F
F
OH
S
N
|
IC50 |
= |
674.0 |
nM |
355.37 |
Nc1ncc(-c2ccc3ncsc3c2)cc1-c1cc(F)c(O)c(F)c1 |
Homo sapiens |
CHEMBL4307651 |
cell-based format |
CHEMBL6291 |
OBDepict
H
2
N
S
NH
N
O
N
H
O
N
H
3
C
|
IC50 |
= |
743.0 |
nM |
457.56 |
Cn1cc(C2=C(c3cn(CCCSC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
Homo sapiens |
CHEMBL4328650 |
single protein format |