Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50116640'   

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))	BDBM50116640 (8-Benzyloxy-6-benzyloxymethyl-7-hydroxy-3-methyl-1...) Show SMILES CCOC(=O)C1=C(C)OC2=C(C(OCc3ccccc3)C(O)C(COCc3ccccc3)O2)S1=O |c:5,t:9,(9.73,-11.46,;11.21,-11.88,;12.3,-10.79,;11.91,-9.29,;10.41,-8.9,;13,-8.21,;13.87,-8.38,;14.31,-9.85,;14.96,-7.3,;14.57,-5.82,;13.38,-5.4,;11.67,-6,;10.13,-6,;8.73,-6.68,;7.47,-5.81,;7.59,-4.28,;6.33,-3.41,;4.93,-4.07,;4.81,-5.61,;6.1,-6.47,;10.9,-4.67,;9.71,-3.69,;12.16,-5.09,;12.16,-3.55,;13.49,-2.76,;13.49,-1.22,;14.82,-.45,;14.8,1.09,;16.13,1.86,;17.48,1.1,;17.48,-.44,;16.15,-1.22,;13.8,-4.46,;12.61,-6.73,;11.27,-7.47,)| Show InChI InChI=1S/C26H29O8S/c1-3-31-25(28)23-17(2)33-26-24(35(23)29)22(32-15-19-12-8-5-9-13-19)21(27)20(34-26)16-30-14-18-10-6-4-7-11-18/h4-13,20-22,27,29H,3,14-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	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