Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50108444'   

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))	BDBM50108444 (1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluor...) Show SMILES FC(F)(F)Oc1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O Show InChI InChI=1S/C24H23F3N2O2/c25-24(26,27)31-20-12-10-18(11-13-20)21-9-6-16-29(23(21)30)22(17-28-14-4-5-15-28)19-7-2-1-3-8-19/h1-3,6-13,16,22H,4-5,14-15,17H2	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	1.10E+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
					More data for this Ligand-Target Pair