Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50117512'   

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))	BDBM50117512 ((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(3-methoxy-phen...) Show SMILES COc1cccc(c1)[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1 Show InChI InChI=1S/C21H24FNO3/c1-24-19-4-2-3-16(11-19)17-12-21(14-25-13-17)20(23-9-10-26-21)15-5-7-18(22)8-6-15/h2-8,11,17,20,23H,9-10,12-14H2,1H3/t17-,20+,21?/m1/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	183	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
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