Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50342016'   

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))	BDBM50342016 (CHEMBL1765497 | N-[3,5-Bis(trifluoromethyl)benzyl]...) Show SMILES FC(F)(F)c1cc(CNC(=O)c2c(CCl)nccc2-c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C22H15ClF6N2O/c23-11-18-19(17(6-7-30-18)14-4-2-1-3-5-14)20(32)31-12-13-8-15(21(24,25)26)10-16(9-13)22(27,28)29/h1-10H,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 PubMed	n/a	n/a	235	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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