Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50089779'   

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))	BDBM50089779 (4-cyclopropylmethyl-14-(3,4-diformylphenylcarboxam...) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CNC(=O)c1ccc(C=O)c(C=O)c1 |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12| Show InChI InChI=1S/C31H33N3O7/c35-15-20-4-3-19(11-21(20)16-36)29(39)32-13-25(38)33-22-7-8-31(40)24-12-18-5-6-23(37)27-26(18)30(31,28(22)41-27)9-10-34(24)14-17-1-2-17/h3-6,11,15-17,22,24,28,37,40H,1-2,7-10,12-14H2,(H,32,39)(H,33,38)/t22-,24?,28?,30?,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of [3H]- diprenorphine binding to Opioid receptor delta 1				J Med Chem 43: 2489-92 (2000) BindingDB Entry DOI: 10.7270/Q2XW4KH7
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