Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50174103'   

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))	BDBM50174103 (CHEMBL3809687) Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H28ClNO2/c1-28(2)17-22-11-7-20-15-19(18-8-12-23(27)13-9-18)10-14-25(20)26(22,29)21-5-4-6-24(16-21)30-3/h4-6,8-10,12-16,22,29H,7,11,17H2,1-3H3/t22-,26+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins				ACS Med Chem Lett 7: 391-6 (2016) Article DOI: 10.1021/acsmedchemlett.5b00423 BindingDB Entry DOI: 10.7270/Q2R78H4W
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