Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50069652'   

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))	BDBM50069652 (CHEMBL152316 | [(S)-2-(3,5-Bis-trifluoromethyl-ben...) Show SMILES Cn1nnc(CN[C@H](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccccc2)n1 Show InChI InChI=1S/C20H19F6N5O/c1-31-29-18(28-30-31)10-27-17(14-5-3-2-4-6-14)12-32-11-13-7-15(19(21,22)23)9-16(8-13)20(24,25)26/h2-9,17,27H,10-12H2,1H3/t17-/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	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 8: 51-6 (1999) BindingDB Entry DOI: 10.7270/Q2Q23ZCG
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