Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50108640'   

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 (Rattus norvegicus (rat))	BDBM50108640 (CHEMBL3596449) Show SMILES COc1ccc(cc1COCC1(CCNCC1)c1ccccc1)-n1nnnc1C Show InChI InChI=1S/C22H27N5O2/c1-17-24-25-26-27(17)20-8-9-21(28-2)18(14-20)15-29-16-22(10-12-23-13-11-22)19-6-4-3-5-7-19/h3-9,14,23H,10-13,15-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...				Bioorg Med Chem Lett 25: 3039-43 (2015) Article DOI: 10.1016/j.bmcl.2015.04.098 BindingDB Entry DOI: 10.7270/Q24M9690
					More data for this Ligand-Target Pair