Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50220507'   

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-P receptor (Homo sapiens (Human))	BDBM50220507 (CHEMBL311946) Show SMILES FC(F)(F)c1cc(CN2C(=O)NC3(CCN(CC3)S(=O)(=O)CCc3cccc4ccccc34)C2=O)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H25F6N3O4S/c29-27(30,31)21-14-18(15-22(16-21)28(32,33)34)17-37-24(38)26(35-25(37)39)9-11-36(12-10-26)42(40,41)13-8-20-6-3-5-19-4-1-2-7-23(19)20/h1-7,14-16H,8-13,17H2,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2519-22 (2002) BindingDB Entry DOI: 10.7270/Q2GT5QB9
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