Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50392798'   

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 (MOUSE)	BDBM50392798 (CHEMBL2151328) Show SMILES Nc1cccc2c3C[C@@]4(O)[C@H]5Cc6ccc(OCCc7ccccc7)c7O[C@@H](c3[nH]c12)[C@]4(CCN5CC1CC1)c67 |r| Show InChI InChI=1S/C34H35N3O3/c35-25-8-4-7-23-24-18-34(38)27-17-22-11-12-26(39-16-13-20-5-2-1-3-6-20)31-28(22)33(34,14-15-37(27)19-21-9-10-21)32(40-31)30(24)36-29(23)25/h1-8,11-12,21,27,32,36,38H,9-10,13-19,35H2/t27-,32+,33+,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	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]-DAMGO from mouse MOR 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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