Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50123661'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50123661 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES CCCCN(C(=O)c1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1)c1ccccc1 Show InChI InChI=1S/C33H41N3O2/c1-5-7-20-35(30-16-9-8-10-17-30)33(38)29-15-11-13-27(21-29)32(28-14-12-18-31(37)22-28)36-24-25(3)34(19-6-2)23-26(36)4/h6,8-18,21-22,25-26,32,37H,2,5,7,19-20,23-24H2,1,3-4H3/t25-,26+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
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