Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50342015'   

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))	BDBM50342015 (CHEMBL1765498 | N-[3,5-Bis(trifluoromethyl)benzyl]...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(CCl)nccc1-c1ccccc1 Show InChI InChI=1S/C23H17ClF6N2O/c1-32(13-14-9-16(22(25,26)27)11-17(10-14)23(28,29)30)21(33)20-18(7-8-31-19(20)12-24)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3	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	52	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from human recombinant NK1 receptor expressed in CHO cells after 90 mins				Bioorg Med Chem 19: 2242-51 (2011) Article DOI: 10.1016/j.bmc.2011.02.031 BindingDB Entry DOI: 10.7270/Q2QJ7J8H
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