Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50340685'   

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))	BDBM50340685 (CHEMBL1762381 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...) Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 Show InChI InChI=1S/C53H52N8O4/c1-34-26-48(54)46-28-40(16-22-50(46)58-34)60-52(62)44-10-5-3-8-38(44)32-64-42-18-12-36(13-19-42)30-56-24-7-25-57-31-37-14-20-43(21-15-37)65-33-39-9-4-6-11-45(39)53(63)61-41-17-23-51-47(29-41)49(55)27-35(2)59-51/h3-6,8-23,26-29,56-57H,7,24-25,30-33H2,1-2H3,(H2,54,58)(H2,55,59)(H,60,62)(H,61,63)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	468	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanit£ Curated by ChEMBL					Assay Description Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting				Eur J Med Chem 46: 1207-21 (2011) Article DOI: 10.1016/j.ejmech.2011.01.040 BindingDB Entry DOI: 10.7270/Q2NK3FBC
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