Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM21118'   

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 (Rattus norvegicus (rat))	BDBM21118 ((2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-({2-oxo...) Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1 Show InChI InChI=1S/C28H37N5O5/c1-3-25(35)33(21-7-5-4-6-8-21)22-13-15-32(16-14-22)26(36)18-30-27(37)19(2)31-28(38)24(29)17-20-9-11-23(34)12-10-20/h4-12,19,22,24,34H,3,13-18,29H2,1-2H3,(H,30,37)(H,31,38)/t19-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.70E+3	-29.9	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 5528-32 (2007) Article DOI: 10.1021/jm061465o BindingDB Entry DOI: 10.7270/Q2D50K8P
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