Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50093112'   

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-K receptor (Homo sapiens (Human))	BDBM50093112 (5-[4-(2-Azetidin-1-yl-2-oxo-ethyl)-piperazin-1-yl]...) Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCC2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H34Cl2F6N4O3/c1-44-39-27(19-45-18-20-13-22(29(33,34)35)16-23(14-20)30(36,37)38)24(21-3-4-25(31)26(32)15-21)5-8-40-9-11-41(12-10-40)17-28(43)42-6-2-7-42/h3-4,13-16,24H,2,5-12,17-19H2,1H3/b39-27+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	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 2				Bioorg Med Chem Lett 10: 2333-5 (2001) BindingDB Entry DOI: 10.7270/Q2X63M6B
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