Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50150802'   

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)	BDBM50150802 (2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...) Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NC(CCCNC(N)=N)C(N)=O Show InChI InChI=1S/C27H37N7O4/c1-15-10-19(35)11-16(2)20(15)13-21(28)26(38)34-14-18-7-4-3-6-17(18)12-23(34)25(37)33-22(24(29)36)8-5-9-32-27(30)31/h3-4,6-7,10-11,21-23,35H,5,8-9,12-14,28H2,1-2H3,(H2,29,36)(H,33,37)(H4,30,31,32)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	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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