Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50220511'   

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))	BDBM50220511 (CHEMBL314499) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)N1C(=O)NC2(CCN(CC2)C(=O)c2cccc3ccccc23)C1=O Show InChI InChI=1S/C26H19F6N3O3/c27-25(28,29)16-12-17(26(30,31)32)14-18(13-16)35-22(37)24(33-23(35)38)8-10-34(11-9-24)21(36)20-7-3-5-15-4-1-2-6-19(15)20/h1-7,12-14H,8-11H2,(H,33,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	339	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2519-22 (2002) BindingDB Entry DOI: 10.7270/Q2GT5QB9
					More data for this Ligand-Target Pair