Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50422800'   

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 (MOUSE)	BDBM50422800 (CHEMBL203406) Show SMILES COc1cccc(c1)[C@H](N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C)c1ccc2CCN(Cc2c1)C(=O)CC(O)=O Show InChI InChI=1S/C33H39N3O4/c1-23-20-36(24(2)19-35(23)21-25-8-5-4-6-9-25)33(27-10-7-11-30(17-27)40-3)28-13-12-26-14-15-34(22-29(26)16-28)31(37)18-32(38)39/h4-13,16-17,23-24,33H,14-15,18-22H2,1-3H3,(H,38,39)/t23-,24+,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens				Bioorg Med Chem Lett 16: 905-10 (2006) Article DOI: 10.1016/j.bmcl.2005.10.102 BindingDB Entry DOI: 10.7270/Q2930VG2
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