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BDBM50190346 CHEMBL3827497

SMILES: CN(C)c1ccc(\C=C2/N(C)C(=S)N(C3CCCCC3)C2=O)cc1

InChI Key: InChIKey=XQNWEBDHUKPBFV-LGMDPLHJSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50190346   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50190346
PNG
(CHEMBL3827497)
Show SMILES CN(C)c1ccc(\C=C2/N(C)C(=S)N(C3CCCCC3)C2=O)cc1
Show InChI InChI=1S/C19H25N3OS/c1-20(2)15-11-9-14(10-12-15)13-17-18(23)22(19(24)21(17)3)16-7-5-4-6-8-16/h9-13,16H,4-8H2,1-3H3/b17-13-
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.23E+4n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX1 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50190346
PNG
(CHEMBL3827497)
Show SMILES CN(C)c1ccc(\C=C2/N(C)C(=S)N(C3CCCCC3)C2=O)cc1
Show InChI InChI=1S/C19H25N3OS/c1-20(2)15-11-9-14(10-12-15)13-17-18(23)22(19(24)21(17)3)16-7-5-4-6-8-16/h9-13,16H,4-8H2,1-3H3/b17-13-
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.56E+4n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair