Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50123652'   

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))	BDBM50123652 (3-[(S)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES CCN(CC)C(=O)c1cccc(c1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1 Show InChI InChI=1S/C27H37N3O2/c1-6-15-29-18-21(5)30(19-20(29)4)26(23-12-10-14-25(31)17-23)22-11-9-13-24(16-22)27(32)28(7-2)8-3/h6,9-14,16-17,20-21,26,31H,1,7-8,15,18-19H2,2-5H3/t20-,21+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	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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