BDBM50000274 (1-{1-[2-(3,4-Dichloro-phenyl)-acetyl]-piperidin-2-ylmethyl}-pyrrolidin-3-ylidene)-acetic acid methyl ester::CHEMBL357297

SMILES: COC(=O)\C=C1\CCN(CC2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C1

InChI Key: InChIKey=XVAYHCVKNSKOJY-VBKFSLOCSA-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 = 50000274   

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))	BDBM50000274 ((1-{1-[2-(3,4-Dichloro-phenyl)-acetyl]-piperidin-2...) Show SMILES COC(=O)\C=C1\CCN(CC2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C21H26Cl2N2O3/c1-28-21(27)12-16-7-9-24(13-16)14-17-4-2-3-8-25(17)20(26)11-15-5-6-18(22)19(23)10-15/h5-6,10,12,17H,2-4,7-9,11,13-14H2,1H3/b16-12-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation				J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV
					More data for this Ligand-Target Pair