Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50029870'   

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))	BDBM50029870 (2-Benzhydryl-3-(2,5-difluoro-benzyloxy)-1-aza-bicy...) Show SMILES Fc1ccc(F)c(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(14.24,-4.64,;12.93,-3.87,;12.93,-2.33,;11.58,-1.57,;10.26,-2.33,;8.95,-1.57,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;8.99,-10.74,;10.33,-11.5,;10.33,-13.04,;8.99,-13.81,;7.65,-13.04,;7.65,-11.5,;11.59,-4.65,)| Show InChI InChI=1S/C27H27F2NO/c28-23-11-12-24(29)22(17-23)18-31-27-21-13-15-30(16-14-21)26(27)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,21,25-27H,13-16,18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1				J Med Chem 38: 4793-805 (1996) BindingDB Entry DOI: 10.7270/Q2PG1QRK
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