Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50340690'   

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))	BDBM50340690 (CHEMBL1762386 | N,N'-bis[[4-[[2-[[(4-amino-2-methy...) Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 Show InChI InChI=1S/C58H62N8O4/c1-39-31-53(59)51-33-45(21-27-55(51)63-39)65-57(67)49-15-9-7-13-43(49)37-69-47-23-17-41(18-24-47)35-61-29-11-5-3-4-6-12-30-62-36-42-19-25-48(26-20-42)70-38-44-14-8-10-16-50(44)58(68)66-46-22-28-56-52(34-46)54(60)32-40(2)64-56/h7-10,13-28,31-34,61-62H,3-6,11-12,29-30,35-38H2,1-2H3,(H2,59,63)(H2,60,64)(H,65,67)(H,66,68)	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	1.90E+3	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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