Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50220516'   

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))	BDBM50220516 (CHEMBL420787) Show SMILES Cc1cc(C)c(C(=O)N2CCC3(CC2)NC(=O)N(C3=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(C)c1 Show InChI InChI=1S/C25H23F6N3O3/c1-13-8-14(2)19(15(3)9-13)20(35)33-6-4-23(5-7-33)21(36)34(22(37)32-23)18-11-16(24(26,27)28)10-17(12-18)25(29,30)31/h8-12H,4-7H2,1-3H3,(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	324	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