Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50150798'   

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 (GUINEA PIG)	BDBM50150798 (2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...) Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NCC(N)=O Show InChI InChI=1S/C23H28N4O4/c1-13-7-17(28)8-14(2)18(13)10-19(24)23(31)27-12-16-6-4-3-5-15(16)9-20(27)22(30)26-11-21(25)29/h3-8,19-20,28H,9-12,24H2,1-2H3,(H2,25,29)(H,26,30)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliary Curated by ChEMBL					Assay Description Inhibition of Opioid receptor mu 1 in guinea pig ileum assay				J Med Chem 47: 4066-71 (2004) Article DOI: 10.1021/jm040033f BindingDB Entry DOI: 10.7270/Q2P55N09
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