Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50243475'   

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))	BDBM50243475 ((5S)-5-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)eth...) Show SMILES C[C@@H](OC[C@]1(CC(O)C(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C21H19F6NO3/c1-12(13-7-15(20(22,23)24)9-16(8-13)21(25,26)27)31-11-19(10-17(29)18(30)28-19)14-5-3-2-4-6-14/h2-9,12,17,29H,10-11H2,1H3,(H,28,30)/t12-,17?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 4168-71 (2008) Article DOI: 10.1016/j.bmcl.2008.05.082 BindingDB Entry DOI: 10.7270/Q2D79B7F
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