Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50217094'   

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))	BDBM50217094 (CHEMBL318093) Show SMILES CS(=O)(=O)N1CCC2(CC1)C1C(CN2C(=O)c2ccc3ccccc3c2)C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O Show InChI InChI=1S/C31H27F6N3O5S/c1-46(44,45)38-10-8-29(9-11-38)25-24(17-40(29)26(41)21-7-6-19-4-2-3-5-20(19)14-21)27(42)39(28(25)43)16-18-12-22(30(32,33)34)15-23(13-18)31(35,36)37/h2-7,12-15,24-25H,8-11,16-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	263	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: 3073-6 (2002) BindingDB Entry DOI: 10.7270/Q23N25J3
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