Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50225899'   

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))	BDBM50225899 ((+/-)-4-[(N-(2-methoxy-5-trifluoromethoxybenzyl)am...) Show SMILES COc1ccc(OC(F)(F)F)cc1CN[C@H]1[C@@H]2COC[C@@H]2N[C@H]1c1ccccc1 Show InChI InChI=1S/C21H23F3N2O3/c1-27-18-8-7-15(29-21(22,23)24)9-14(18)10-25-20-16-11-28-12-17(16)26-19(20)13-5-3-2-4-6-13/h2-9,16-17,19-20,25-26H,10-12H2,1H3/t16-,17+,19+,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]substance P from NK1 human receptor expressed in IM9 cells				Bioorg Med Chem Lett 17: 6887-90 (2007) Article DOI: 10.1016/j.bmcl.2007.10.010 BindingDB Entry DOI: 10.7270/Q2GQ6XGX
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