Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50108432'   

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))	BDBM50108432 (3-(2,5-Dimethoxy-phenyl)-1-(1-phenyl-2-pyrrolidin-...) Show SMILES COc1ccc(OC)c(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O Show InChI InChI=1S/C25H28N2O3/c1-29-20-12-13-24(30-2)22(17-20)21-11-8-16-27(25(21)28)23(18-26-14-6-7-15-26)19-9-4-3-5-10-19/h3-5,8-13,16-17,23H,6-7,14-15,18H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Binding affinity towards mu opioid receptor by the displacement of [125I]-Enkephalin				Bioorg Med Chem Lett 12: 197-200 (2001) BindingDB Entry DOI: 10.7270/Q28051XH
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