Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50178272'   

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))	BDBM50178272 (CHEMBL201192 | N-(2-cyclopropoxy-5-(trifluorometho...) Show SMILES FC(F)(F)Oc1ccc(OC2CC2)c(CNC2CCC3NC2(CC3c2nnn[nH]2)c2ccccc2)c1 Show InChI InChI=1S/C25H27F3N6O2/c26-25(27,28)36-18-8-10-21(35-17-6-7-17)15(12-18)14-29-22-11-9-20-19(23-31-33-34-32-23)13-24(22,30-20)16-4-2-1-3-5-16/h1-5,8,10,12,17,19-20,22,29-30H,6-7,9,11,13-14H2,(H,31,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.650	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]-labelled substance P from cloned human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 811-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.026 BindingDB Entry DOI: 10.7270/Q2JW8DGT
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