molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4874241 |
|
IC50 |
= |
4.68 |
nM |
378.36 |
Nc1ncc(-c2cc([N+](=O)[O-])ccc2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804331 |
assay format |
CHEMBL4101902 |
OBDepict
NH
2
N
N
N
N
F
N
H
3
C
O
NH
2
|
IC50 |
= |
460.0 |
nM |
429.46 |
Cn1nc(-c2cnc(N)c(-c3ccc(C(N)=O)c(F)c3)n2)nc1C1(c2ccccc2)CC1 |
Homo sapiens |
CHEMBL4001602 |
assay format |
CHEMBL4744428 |
OBDepict
O
N
H
H
O
N
N
N
N
N
N
CH
3
H
3
C
|
IC50 |
<= |
500.0 |
nM |
433.52 |
CC(C)n1cnnc1-c1cccc(NC(=O)[C@H]2CN(c3ccc(C4CC4)nc3)CCO2)n1 |
Homo sapiens |
CHEMBL4727568 |
single protein format |
CHEMBL3337846 |
OBDepict
CH
3
O
N
H
O
N
N
H
O
O
F
F
|
IC50 |
= |
800.0 |
nM |
347.28 |
COc1cccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 |
Homo sapiens |
CHEMBL3386216 |
assay format |
CHEMBL3337845 |
OBDepict
O
N
H
N
S
N
N
N
H
H
O
O
O
O
F
F
F
F
F
|
IC50 |
= |
810.0 |
nM |
527.39 |
O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1csc(NC(=O)c2ccccc2OC(F)(F)F)n1 |
Homo sapiens |
CHEMBL3386216 |
assay format |