Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM462388'   

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 (Homo sapiens (Human))	BDBM462388 (US10780078, Compound DD 262 P1) Show SMILES C[C@@H](Cc1ccsc1)NC(=O)NC[C@]1(CCc2ccccc2C1)N(C)C Show InChI InChI=1S/C21H29N3OS/c1-16(12-17-9-11-26-14-17)23-20(25)22-15-21(24(2)3)10-8-18-6-4-5-7-19(18)13-21/h4-7,9,11,14,16H,8,10,12-13,15H2,1-3H3,(H2,22,23,25)/t16-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article US Patent	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description This study supports a structure-based approach for GPCR ligand discovery. These new chemotypes may stabilize receptor conformations not explored prev...				Bioorg Med Chem Lett 5: 2707-12 (1995) Article DOI: 10.1016/0960-894X(95)00461-2 BindingDB Entry DOI: 10.7270/Q2XW4GZT
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