Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50186518'   

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))	BDBM50186518 (CHEMBL210641 | cis-3-(((R)-1-(3,5-bis(trifluoromet...) Show SMILES C[C@@H](OC[C@@]1(C[C@](N)(C1)C(N)=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:1.0,6.9,wD:6.6,4.3,(6.13,1.85,;6.13,.31,;7.47,-.46,;8.8,.32,;10.14,-.45,;11.24,-1.52,;10.17,-2.63,;11.5,-3.39,;9.07,-1.56,;8.81,-3.36,;7.5,-2.54,;8.76,-4.9,;11.47,.33,;12.8,-.44,;14.12,.33,;14.12,1.87,;12.77,2.64,;11.45,1.86,;4.8,-.47,;4.81,-2.02,;3.47,-2.79,;2.13,-2.02,;2.14,-.47,;3.47,.3,;.8,.3,;1.56,1.63,;.02,-1.03,;-.54,1.07,;3.47,-4.33,;5,-4.32,;1.92,-4.32,;3.48,-5.87,)| Show InChI InChI=1S/C22H22F6N2O2/c1-13(14-7-16(21(23,24)25)9-17(8-14)22(26,27)28)32-12-19(15-5-3-2-4-6-15)10-20(30,11-19)18(29)31/h2-9,13H,10-12,30H2,1H3,(H2,29,31)/t13-,19-,20-/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	0.430	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 16: 3859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.04.031 BindingDB Entry DOI: 10.7270/Q2QV3M44
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