BDBM50017493 2-Benzo[b]thiophen-4-yl-N-pentyl-N-(2-pyrrolidin-1-yl-ethyl)-acetamide; hydrochloride::CHEMBL542102

SMILES: CCCCCN(CCN1CCCC1)C(=O)Cc1cccc2sccc12

InChI Key: InChIKey=LJEKTRIRUXDMNT-UHFFFAOYSA-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 = 50017493   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50017493 (2-Benzo[b]thiophen-4-yl-N-pentyl-N-(2-pyrrolidin-1...) Show SMILES CCCCCN(CCN1CCCC1)C(=O)Cc1cccc2sccc12 Show InChI InChI=1S/C21H30N2OS/c1-2-3-4-13-23(15-14-22-11-5-6-12-22)21(24)17-18-8-7-9-20-19(18)10-16-25-20/h7-10,16H,2-6,11-15,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Research Unit Curated by ChEMBL					Assay Description Binding affinity towards opioid receptor kappa was determined				J Med Chem 32: 1620-6 (1989) BindingDB Entry DOI: 10.7270/Q2GH9JJB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50017493 (2-Benzo[b]thiophen-4-yl-N-pentyl-N-(2-pyrrolidin-1...) Show SMILES CCCCCN(CCN1CCCC1)C(=O)Cc1cccc2sccc12 Show InChI InChI=1S/C21H30N2OS/c1-2-3-4-13-23(15-14-22-11-5-6-12-22)21(24)17-18-8-7-9-20-19(18)10-16-25-20/h7-10,16H,2-6,11-15,17H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Research Unit Curated by ChEMBL					Assay Description Binding affinity towards opioid receptor mu was determined				J Med Chem 32: 1620-6 (1989) BindingDB Entry DOI: 10.7270/Q2GH9JJB
					More data for this Ligand-Target Pair