Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50287345'   

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))	BDBM50287345 (CHEMBL43085 | N-[2-(3,5-Bis-trifluoromethyl-phenyl...) Show SMILES FC(F)(F)c1cc(CCNC(=O)C(c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C24H19F6NO/c25-23(26,27)19-13-16(14-20(15-19)24(28,29)30)11-12-31-22(32)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,13-15,21H,11-12H2,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for human NK1 receptor determined by displacement of [125I]- Substance P from human NK1 receptor in CHO cells				Bioorg Med Chem Lett 6: 1585-1588 (1996) Article DOI: 10.1016/S0960-894X(96)00280-6 BindingDB Entry DOI: 10.7270/Q24X57RT
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