Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50114934'   

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))	BDBM50114934 (2-(3,5-Bis-trifluoromethyl-phenyl)-2-{4-[4-(4-fluo...) Show SMILES OCC(OC[C@]1(CC[C@@H](CC1)N1CCC(CC1)c1ccc(F)cc1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,wD:8.11,(10.2,2.56,;9.43,1.23,;10.22,-.1,;8.89,-.87,;7.56,-.1,;6.23,-.89,;7.56,-1.66,;7.56,-3.2,;6.21,-3.95,;4.88,-3.2,;4.88,-1.64,;6.21,-5.49,;7.54,-6.28,;7.54,-7.82,;6.21,-8.57,;4.88,-7.82,;4.88,-6.28,;6.21,-10.11,;7.54,-10.88,;7.54,-12.42,;6.21,-13.19,;6.21,-14.73,;4.88,-12.42,;4.88,-10.88,;4.88,-.12,;3.55,-.89,;2.22,-.12,;2.2,1.44,;3.55,2.21,;4.88,1.44,;11.55,-.87,;12.88,-.1,;14.21,-.87,;14.22,-2.41,;12.88,-3.18,;11.55,-2.41,;12.86,-4.72,;11.53,-5.49,;14.21,-5.49,;11.39,-4.32,;15.54,-.1,;15.54,1.44,;15.94,-1.59,;16.88,-.87,)| Show InChI InChI=1S/C34H36F7NO2/c35-29-8-6-23(7-9-29)24-12-16-42(17-13-24)30-10-14-32(15-11-30,26-4-2-1-3-5-26)22-44-31(21-43)25-18-27(33(36,37)38)20-28(19-25)34(39,40)41/h1-9,18-20,24,30-31,43H,10-17,21-22H2/t30-,31?,32+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from the cloned Tachykinin receptor 1				Bioorg Med Chem Lett 12: 1755-8 (2002) BindingDB Entry DOI: 10.7270/Q2SX6CKH
					More data for this Ligand-Target Pair