Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50116642'   

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))	BDBM50116642 ((7,8-Bis-benzyloxy-6-benzyloxymethyl-3-phenyl-6,7,...) Show SMILES O=C(C1=C(OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2S1)c1ccccc1)c1ccccc1 |t:2| Show InChI InChI=1S/C42H38O6S/c43-36(33-22-12-4-13-23-33)40-37(34-24-14-5-15-25-34)48-42-41(49-40)39(46-28-32-20-10-3-11-21-32)38(45-27-31-18-8-2-9-19-31)35(47-42)29-44-26-30-16-6-1-7-17-30/h1-25,35,38-39,41-42H,26-29H2	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
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