Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50093115'   

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))	BDBM50093115 (2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4...) Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N(C)C2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H42Cl2F6N4O3/c1-44(27-6-4-3-5-7-27)32(47)20-46-14-12-45(13-15-46)11-10-28(24-8-9-29(35)30(36)18-24)31(43-48-2)22-49-21-23-16-25(33(37,38)39)19-26(17-23)34(40,41)42/h8-9,16-19,27-28H,3-7,10-15,20-22H2,1-2H3/b43-31+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	113	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 Inhibitory activity against human tachykinin receptor 1				Bioorg Med Chem Lett 10: 2333-5 (2001) BindingDB Entry DOI: 10.7270/Q2X63M6B
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