BDBM50084012 (3,4-Dichloro-phenyl)-acetic acid 2-pyrrolidin-1-yl-ethyl ester::2-(pyrrolidin-1-yl)ethyl 2-(3,4-dichlorophenyl)acetate::CHEMBL53649::CHEMBL544992

SMILES: Clc1ccc(CC(=O)OCCN2CCCC2)cc1Cl

InChI Key: InChIKey=CYVORFBBJKNNDO-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 = 50084012   

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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50084012 ((3,4-Dichloro-phenyl)-acetic acid 2-pyrrolidin-1-y...) Show SMILES Clc1ccc(CC(=O)OCCN2CCCC2)cc1Cl Show InChI InChI=1S/C14H17Cl2NO2/c15-12-4-3-11(9-13(12)16)10-14(18)19-8-7-17-5-1-2-6-17/h3-4,9H,1-2,5-8,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Inhibition of [3H]pentazocine binding to Sigma receptor type 1 in guinea pig brain membrane without cerebellum				J Med Chem 46: 2117-24 (2003) Article DOI: 10.1021/jm021014d BindingDB Entry DOI: 10.7270/Q2DF6RZR
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50084012 ((3,4-Dichloro-phenyl)-acetic acid 2-pyrrolidin-1-y...) Show SMILES Clc1ccc(CC(=O)OCCN2CCCC2)cc1Cl Show InChI InChI=1S/C14H17Cl2NO2/c15-12-4-3-11(9-13(12)16)10-14(18)19-8-7-17-5-1-2-6-17/h3-4,9H,1-2,5-8,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Compound was tested for its binding affinity against sigma 1 opioid receptor using 3[H]-(+)-pentazocine as radioligand				Bioorg Med Chem Lett 10: 17-8 (2000) BindingDB Entry DOI: 10.7270/Q28051VM
					More data for this Ligand-Target Pair