Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50178552'   

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))	BDBM50178552 (2'-methyl-biphenyl-2-carboxylic acid (3,5-bis-trif...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1ccccc1-c1ccccc1C Show InChI InChI=1S/C24H19F6NO/c1-15-7-3-4-8-19(15)20-9-5-6-10-21(20)22(32)31(2)14-16-11-17(23(25,26)27)13-18(12-16)24(28,29)30/h3-13H,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-labeled substance P from cloned human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1362-5 (2006) Article DOI: 10.1016/j.bmcl.2005.11.047 BindingDB Entry DOI: 10.7270/Q2D50MJP
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