Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50266419'   

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)	BDBM50266419 ((2S,4aR,6aR,7R,9S,10aS,10bR)-dimethyl 9-acetoxy-6a...) Show SMILES COC(=O)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |r| Show InChI InChI=1S/C21H28O9/c1-10(22)29-13-8-12(17(24)27-4)20(2)7-6-11-18(25)30-14(19(26)28-5)9-21(11,3)16(20)15(13)23/h11-14,16H,6-9H2,1-5H3/t11-,12-,13-,14-,16-,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Binding affinity to mouse DOPR expressed in CHO cells				Bioorg Med Chem 17: 1370-80 (2009) Article DOI: 10.1016/j.bmc.2008.12.012 BindingDB Entry DOI: 10.7270/Q25H7G4K
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