Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50060903'   

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))	BDBM50060903 (CHEMBL3394756) Show SMILES CC(C)[C@@H](N)C(=O)N(C[C@H](O)CN1CN(c2ccc(F)cc2)C2(CCN(CC3CCCCCCC3)CC2)C1=O)Cc1ccc(C)cc1 |r| Show InChI InChI=1S/C38H56FN5O3/c1-28(2)35(40)36(46)42(24-31-13-11-29(3)12-14-31)25-34(45)26-43-27-44(33-17-15-32(39)16-18-33)38(37(43)47)19-21-41(22-20-38)23-30-9-7-5-4-6-8-10-30/h11-18,28,30,34-35,45H,4-10,19-27,40H2,1-3H3/t34-,35+/m0/s1	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	820	n/a	n/a	n/a	n/a	n/a	n/a
West Chester University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 25: 602-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.015 BindingDB Entry DOI: 10.7270/Q23B61S0
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