Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50114945'   

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))	BDBM50114945 (4-Phenyl-piperidine-4-carboxylic acid 3,5-bis-trif...) Show SMILES FC(F)(F)c1cc(CNC(=O)C2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H20F6N2O/c22-20(23,24)16-10-14(11-17(12-16)21(25,26)27)13-29-18(30)19(6-8-28-9-7-19)15-4-2-1-3-5-15/h1-5,10-12,28H,6-9,13H2,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from the cloned Tachykinin receptor 1				Bioorg Med Chem Lett 12: 1755-8 (2002) BindingDB Entry DOI: 10.7270/Q2SX6CKH
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