Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50116645'   

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
Substance-K receptor (Homo sapiens (Human))	BDBM50116645 ((7,8-Bis-benzyloxy-6-benzyloxymethyl-1-oxo-3-pheny...) Show SMILES O=C(C1=C(OC2=C(C(OCc3ccccc3)C(OCc3ccccc3)C(COCc3ccccc3)O2)S1=O)c1ccccc1)c1ccccc1 |t:2,5,(10.41,-7.68,;11.83,-8.31,;13.07,-7.4,;13.93,-7.57,;15.03,-6.49,;14.63,-5,;13.45,-4.58,;11.74,-5.19,;10.2,-5.19,;8.97,-6.14,;7.54,-5.56,;7.35,-4.04,;5.93,-3.45,;4.71,-4.39,;4.91,-5.91,;6.35,-6.51,;10.97,-3.85,;9.92,-2.71,;8.52,-2.08,;8.35,-.56,;9.61,.34,;9.45,1.88,;8.03,2.5,;6.79,1.59,;6.95,.06,;12.23,-4.27,;12.23,-2.73,;13.56,-1.94,;13.54,-.4,;14.87,.37,;16.22,-.4,;17.55,.39,;17.53,1.93,;16.19,2.68,;14.86,1.91,;13.87,-3.65,;12.67,-5.91,;11.34,-6.67,;15.03,-8.66,;14.61,-10.15,;15.7,-11.23,;17.2,-10.83,;17.58,-9.34,;16.5,-8.26,;11.99,-9.83,;13.52,-10.06,;14.08,-11.49,;13.12,-12.7,;11.6,-12.47,;11.04,-11.04,)| Show InChI InChI=1S/C42H37O7S/c43-36(33-22-12-4-13-23-33)40-37(34-24-14-5-15-25-34)49-42-41(50(40)44)39(47-28-32-20-10-3-11-21-32)38(46-27-31-18-8-2-9-19-31)35(48-42)29-45-26-30-16-6-1-7-17-30/h1-25,35,38-39,44H,26-29H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]-NKA from human Tachykinin receptor 2 expressed in CHO cells				Bioorg Med Chem Lett 12: 2263-6 (2002) BindingDB Entry DOI: 10.7270/Q20864NT
					More data for this Ligand-Target Pair