Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50117513'   

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))	BDBM50117513 ((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(3-trifluoromet...) Show SMILES Fc1ccc(cc1)[C@@H]1NCCOC11COC[C@@H](C1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H21F4NO2/c22-18-6-4-14(5-7-18)19-20(28-9-8-26-19)11-16(12-27-13-20)15-2-1-3-17(10-15)21(23,24)25/h1-7,10,16,19,26H,8-9,11-13H2/t16-,19+,20?/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	30	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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