Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50065353'   

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))	BDBM50065353 ((S)-2-Amino-N-((6S,12R)-6-benzyl-1-methyl-5,8,11-t...) Show SMILES CN1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C1)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C26H34N6O5/c1-32-12-11-28-25(36)21(14-17-5-3-2-4-6-17)30-23(34)15-29-26(37)22(16-32)31-24(35)20(27)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,27H2,1H3,(H,28,36)(H,29,37)(H,30,34)(H,31,35)/t20-,21-,22+/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	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego Curated by ChEMBL					Assay Description In vitro potency was measured against human Opioid receptor mu 1				J Med Chem 41: 2631-5 (1998) Article DOI: 10.1021/jm970861r BindingDB Entry DOI: 10.7270/Q21N81TP
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