Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50378781'   

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))	BDBM50378781 (CHEMBL1204085) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H]1Cc2ccc(O)cc2CS1 |r| Show InChI InChI=1S/C28H38N2O3S/c1-18(2)25(29-27(33)26-13-20-8-9-24(32)12-21(20)17-34-26)16-30-11-10-28(4,19(3)15-30)22-6-5-7-23(31)14-22/h5-9,12,14,18-19,25-26,31-32H,10-11,13,15-17H2,1-4H3,(H,29,33)/t19-,25+,26-,28+/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	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Agonist activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay				J Med Chem 53: 5290-301 (2010) Article DOI: 10.1021/jm1004978 BindingDB Entry DOI: 10.7270/Q2K35VNP
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