Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50114943'   

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))	BDBM50114943 ((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...) Show SMILES FC(F)(F)c1cc(CO[C@H]2C3CCN(CC3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F |wD:9.8,16.18,(3.2,5.65,;1.98,4.61,;.72,5.62,;1.96,6.04,;1.99,3.08,;.68,2.3,;.68,.76,;-.63,-.02,;-.62,-1.56,;-1.96,-2.33,;-3.29,-1.55,;-4.61,-2.33,;-4.61,-3.87,;-3.29,-4.63,;-2.75,-3.65,;-4.08,-2.88,;-1.96,-3.87,;-.62,-4.64,;.7,-3.87,;2.03,-4.63,;2.04,-6.18,;.7,-6.95,;-.63,-6.18,;2.03,,;3.34,.79,;3.34,2.33,;4.7,.02,;5.91,-.66,;4.95,-1.56,;6.19,.6,)| Show InChI InChI=1S/C22H21F6NO/c23-21(24,25)17-10-14(11-18(12-17)22(26,27)28)13-30-20-16-6-8-29(9-7-16)19(20)15-4-2-1-3-5-15/h1-5,10-12,16,19-20H,6-9,13H2/t19-,20-/m0/s1	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibitory concentration expressed as displacement of [125I]-labeled substance P from the cloned human Tachykinin receptor 1 expressed in ...				Bioorg Med Chem Lett 12: 1755-8 (2002) BindingDB Entry DOI: 10.7270/Q2SX6CKH
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