Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50116647'   

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))	BDBM50116647 (7,8-Bis-benzyloxy-6-benzyloxymethyl-3-methyl-1-oxo...) Show SMILES CC1=C(C(=O)Oc2ccccc2)S(=O)C2=C(OC(COCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)O1 |c:1,t:15,(14.45,-8.58,;14.03,-7.11,;13.14,-6.94,;12.07,-8.02,;10.57,-7.6,;12.44,-9.51,;11.37,-10.59,;11.74,-12.11,;10.64,-13.18,;9.17,-12.78,;8.77,-11.29,;9.87,-10.2,;12.77,-5.45,;11.27,-5.84,;13.54,-4.11,;14.73,-4.53,;13.96,-3.18,;12.32,-3.81,;12.32,-2.27,;13.63,-1.48,;13.63,.06,;14.97,.84,;14.97,2.38,;16.27,3.16,;17.63,2.38,;17.63,.84,;16.3,.07,;11.06,-3.39,;9.57,-2.98,;9.17,-1.48,;7.67,-1.08,;7.28,.41,;5.8,.81,;4.71,-.28,;5.1,-1.78,;6.6,-2.17,;11.81,-4.73,;10.27,-4.73,;8.73,-4.72,;7.39,-5.49,;6.06,-4.7,;4.73,-5.47,;4.71,-7.01,;6.06,-7.78,;7.39,-7.01,;15.13,-6.03,)| Show InChI InChI=1S/C37H35O8S/c1-26-34(36(38)44-30-20-12-5-13-21-30)46(39)35-33(42-24-29-18-10-4-11-19-29)32(41-23-28-16-8-3-9-17-28)31(45-37(35)43-26)25-40-22-27-14-6-2-7-15-27/h2-21,31-33,39H,22-25H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	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