Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM222964'   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM222964 (US9315514, 12) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]12OCO[C@@](C)([C@H]1C[C@]35C=C2)C(C)(C)C |r,wU:15.22,26.31,16.17,20.24,24.28,wD:28.32,7.7,24.38,c:36,THB:24:26:15.16:29.30,(-5.66,6.41,;-4.41,5.57,;-4.51,4.07,;-5.84,3.3,;-5.78,1.78,;-4.58,.83,;-4.24,-.67,;-2.82,-1.39,;-3.66,-2.77,;-4.98,-3.5,;-5,-5.01,;-4.27,-6.32,;-5.78,-6.3,;-2.13,-2.79,;-1.89,-1.21,;-1.87,.53,;-.88,2.03,;-1.72,3.37,;-3.26,3.12,;-3.19,1.53,;.82,2.54,;1.44,3.95,;2.97,3.84,;3.61,2.41,;3.17,.89,;2.96,-.6,;1.59,1,;.76,-.5,;-1,-.87,;-.25,.18,;.23,1.41,;4.64,.58,;6.11,.26,;4.95,2.05,;4.32,-.89,)| Show InChI InChI=1S/C30H39NO4/c1-26(2,3)27(4)21-15-28-10-11-30(21,34-17-33-27)25-29(28)12-13-31(16-18-6-7-18)22(28)14-19-8-9-20(32-5)24(35-25)23(19)29/h8-11,18,21-22,25H,6-7,12-17H2,1-5H3/t21-,22-,25-,27+,28-,29+,30-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	460	n/a	n/a	7.4	25
Rhodes Technologies US Patent					Assay Description [35S]GTPγS functional assays were conducted using freshly thawed μ-receptor membranes prepared in-house from a cell line expressing recombin...				US Patent US9315514 (2016) BindingDB Entry DOI: 10.7270/Q2KW5DWC
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