Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50159906'   

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))	BDBM50159906 (1-{1-[3-(2-Chloro-5-fluoro-phenoxy)-4-methyl-penty...) Show SMILES CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1cc(F)ccc1Cl Show InChI InChI=1S/C24H29ClFN3O2/c1-16(2)22(31-23-15-17(26)7-8-19(23)25)11-14-28-12-9-18(10-13-28)29-21-6-4-3-5-20(21)27-24(29)30/h3-8,15-16,18,22H,9-14H2,1-2H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd Curated by ChEMBL					Assay Description Binding affinity towards human opioid receptor mu 1 was determined by using [3H]-diprenorphine as radioligand expressed in Chinese hamster ovary (CHO...				Bioorg Med Chem Lett 15: 589-93 (2005) Article DOI: 10.1016/j.bmcl.2004.11.049 BindingDB Entry DOI: 10.7270/Q2K35T50
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