Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50177382'   

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))	BDBM50177382 (4-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-4-(4...) Show SMILES Fc1ccc(cc1)C1(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CN(C2CCOCC2)C(=O)N1 Show InChI InChI=1S/C24H23F7N2O3/c25-19-3-1-16(2-4-19)22(13-33(21(34)32-22)20-5-7-35-8-6-20)14-36-12-15-9-17(23(26,27)28)11-18(10-15)24(29,30)31/h1-4,9-11,20H,5-8,12-14H2,(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
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