BDBM50045197 1-(4-Benzoyl-2-pyrrolidin-1-ylmethyl-piperazin-1-yl)-2-(3,4-dichloro-phenyl)-ethanone::CHEMBL302190

SMILES: Clc1ccc(CC(=O)N2CCN(CC2CN2CCCC2)C(=O)c2ccccc2)cc1Cl

InChI Key: InChIKey=KYKWNOPPMREIAM-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50045197   

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))	BDBM50045197 (1-(4-Benzoyl-2-pyrrolidin-1-ylmethyl-piperazin-1-y...) Show SMILES Clc1ccc(CC(=O)N2CCN(CC2CN2CCCC2)C(=O)c2ccccc2)cc1Cl Show InChI InChI=1S/C24H27Cl2N3O2/c25-21-9-8-18(14-22(21)26)15-23(30)29-13-12-28(24(31)19-6-2-1-3-7-19)17-20(29)16-27-10-4-5-11-27/h1-3,6-9,14,20H,4-5,10-13,15-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description In vitro agonist activity at kappa opioid receptor in rabbit vas deferens.				J Med Chem 36: 2075-83 (1993) BindingDB Entry DOI: 10.7270/Q2D50NKJ
					More data for this Ligand-Target Pair