BDBM50139137 CHEMBL3759162

SMILES: [Cl-].CCCCn1cc[n+](Cc2cc(=O)oc3cc(C)cc(C)c23)c1

InChI Key: InChIKey=JTGWYKFGGKRRFX-UHFFFAOYSA-M

Data: 1 KI  1 IC50

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 = 50139137   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human))	BDBM50139137 (CHEMBL3759162) Show SMILES [Cl-].CCCCn1cc[n+](Cc2cc(=O)oc3cc(C)cc(C)c23)c1 Show InChI InChI=1S/C19H23N2O2.ClH/c1-4-5-6-20-7-8-21(13-20)12-16-11-18(22)23-17-10-14(2)9-15(3)19(16)17;/h7-11,13H,4-6,12H2,1-3H3;1H/q+1;/p-1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
In£n£ University Curated by ChEMBL					Assay Description Competitive inhibition of human serum PON1 using paraoxon as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 24: 1392-401 (2016) BindingDB Entry DOI: 10.7270/Q2FT8NWG
					More data for this Ligand-Target Pair
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human))	BDBM50139137 (CHEMBL3759162) Show SMILES [Cl-].CCCCn1cc[n+](Cc2cc(=O)oc3cc(C)cc(C)c23)c1 Show InChI InChI=1S/C19H23N2O2.ClH/c1-4-5-6-20-7-8-21(13-20)12-16-11-18(22)23-17-10-14(2)9-15(3)19(16)17;/h7-11,13H,4-6,12H2,1-3H3;1H/q+1;/p-1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
In£n£ University Curated by ChEMBL					Assay Description Inhibition of human serum PON1 using paraoxon as substrate by spectrophotometric analysis				Bioorg Med Chem 24: 1392-401 (2016) BindingDB Entry DOI: 10.7270/Q2FT8NWG
					More data for this Ligand-Target Pair