Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50386687'   

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))	BDBM50386687 (CHEMBL2048783) Show SMILES COc1cccc(CNc2ccc3C[C@@H]4[C@@H]5C=C[C@H](O)[C@@H]6Oc2c3[C@]56CCN4C)c1 |r,c:16| Show InChI InChI=1S/C25H28N2O3/c1-27-11-10-25-18-7-9-21(28)24(25)30-23-19(8-6-16(22(23)25)13-20(18)27)26-14-15-4-3-5-17(12-15)29-2/h3-9,12,18,20-21,24,26,28H,10-11,13-14H2,1-2H3/t18-,20+,21-,24-,25-/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	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting				J Med Chem 55: 3878-90 (2012) Article DOI: 10.1021/jm3001086 BindingDB Entry DOI: 10.7270/Q28053P6
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