Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50178550'   

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))	BDBM50178550 (CHEMBL438801 | biphenyl-2-ylmethyl-(3,5-bis-triflu...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1ccccc1-c1ccccc1 Show InChI InChI=1S/C23H19F6N/c1-30(15-18-9-5-6-10-21(18)17-7-3-2-4-8-17)14-16-11-19(22(24,25)26)13-20(12-16)23(27,28)29/h2-13H,14-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	724	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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