Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 1' and Ligand = 'BDBM50353099'   

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
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50353099 (CHEMBL1829134) Show SMILES COc1ccc(CN2CCN(CCCOc3ccc(cc3NC(=O)c3ccc(cc3)C(F)(F)F)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C33H39F3N6O6/c1-45-27-12-8-23(28(46-2)29(27)47-3)20-42-16-14-41(15-17-42)13-4-18-48-26-11-7-22(31(44)40-32(37)38)19-25(26)39-30(43)21-5-9-24(10-6-21)33(34,35)36/h5-12,19H,4,13-18,20H2,1-3H3,(H,39,43)(H4,37,38,40,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat assessed as inhibition of acid-induced platelet swelling by spectrophotometric analysis				Eur J Med Chem 46: 4107-16 (2011) Article DOI: 10.1016/j.ejmech.2011.06.011 BindingDB Entry DOI: 10.7270/Q27081T0
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