Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50392799'   

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)	BDBM50392799 (CHEMBL2151245) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1c(-[#6])cc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6@@H]-2-[#6]-[#6][C@@]3([#8])[#6@H]-4-[#6]-c5ccc(-[#8])c6-[#8]-[#6@@H]-2[C@]3([#6]-[#6]-[#7]-4-[#6]-[#6]-2-[#6]-[#6]-2)c56)cc1-[#6] |r| Show InChI InChI=1S/C58H77N7O10/c1-5-64(6-2)56(71)41-14-12-39(13-15-41)52(40-19-25-59-26-20-40)51-36(3)28-43(29-37(51)4)62-49(69)34-73-32-47(67)60-23-8-7-9-24-61-48(68)33-74-35-50(70)63-44-18-21-58(72)46-30-42-16-17-45(66)54-53(42)57(58,55(44)75-54)22-27-65(46)31-38-10-11-38/h12-17,28-29,38,44,46,55,59,66,72H,5-11,18-27,30-35H2,1-4H3,(H,60,67)(H,61,68)(H,62,69)(H,63,70)/t44-,46-,55+,57+,58-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from mouse DOR expressed in HEK293 cells				ACS Med Chem Lett 3: 640-644 (2012) Article DOI: 10.1021/ml300083p BindingDB Entry DOI: 10.7270/Q2BR8T8V
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