molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4868141 |
|
IC50 |
= |
-7500.0 |
nM |
532.67 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804429 |
cell-based format |
CHEMBL4867931 |
OBDepict
H
3
C
O
N
H
S
N
O
O
H
2
N
O
HN
|
IC50 |
= |
-1400.0 |
nM |
464.55 |
COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 |
Homo sapiens |
CHEMBL4804429 |
cell-based format |
CHEMBL2420572 |
OBDepict
O
N
H
N
N
N
N
H
H
H
OH
|
IC50 |
= |
240.0 |
nM |
441.54 |
O=C(NC1(c2ccccc2)CC1)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1 |
Homo sapiens |
CHEMBL2424216 |
single protein format |
CHEMBL2420564 |
OBDepict
OH
HN
H
O
N
N
N
N
H
H
H
OH
|
IC50 |
= |
290.0 |
nM |
445.52 |
O=C(N[C@H](CO)c1ccccc1)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1 |
Homo sapiens |
CHEMBL2424216 |
single protein format |
CHEMBL2420555 |
OBDepict
F
NH
O
N
N
N
N
H
H
H
OH
|
IC50 |
= |
740.0 |
nM |
459.53 |
O=C(NC1(c2ccc(F)cc2)CC1)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1 |
Homo sapiens |
CHEMBL2424216 |
single protein format |