BDBM50017490 (2-Benzo[b]thiophen-4-yl-ethyl)-methyl-(2-pyrrolidin-1-yl-cyclohexyl)-amine; hydrochloride::CHEMBL555649

SMILES: CN(CCc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCCC1

InChI Key: InChIKey=WTZQFIVNYGCSCW-WOJBJXKFSA-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 = 50017490   

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))	BDBM50017490 ((2-Benzo[b]thiophen-4-yl-ethyl)-methyl-(2-pyrrolid...) Show SMILES CN(CCc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCCC1 Show InChI InChI=1S/C21H30N2S/c1-22(15-11-17-7-6-10-21-18(17)12-16-24-21)19-8-2-3-9-20(19)23-13-4-5-14-23/h6-7,10,12,16,19-20H,2-5,8-9,11,13-15H2,1H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.10E+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))	BDBM50017490 ((2-Benzo[b]thiophen-4-yl-ethyl)-methyl-(2-pyrrolid...) Show SMILES CN(CCc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCCC1 Show InChI InChI=1S/C21H30N2S/c1-22(15-11-17-7-6-10-21-18(17)12-16-24-21)19-8-2-3-9-20(19)23-13-4-5-14-23/h6-7,10,12,16,19-20H,2-5,8-9,11,13-15H2,1H3/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.43E+4	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