Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50045115'   

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))	BDBM50045115 (2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...) Show SMILES COC(=O)[C@@]1(C[C@H]1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:7:8:13:23.17.16| Show InChI InChI=1S/C26H31NO3/c1-17-23-13-18-9-10-21(28)14-22(18)25(17,2)11-12-27(23)16-20-15-26(20,24(29)30-3)19-7-5-4-6-8-19/h4-10,14,17,20,23,28H,11-13,15-16H2,1-3H3/t17-,20-,23+,25+,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity for mu opioid receptor was evaluated by displacing [3H]- diprenorphine				J Med Chem 36: 1860-5 (1993) BindingDB Entry DOI: 10.7270/Q2SF2WTH
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