Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 1' and Ligand = 'BDBM50378116'   

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)	BDBM50378116 (CHEMBL1202327) Show SMILES COc1ccc2nc(SC3Cc4cc(Cl)ccc4C3=NN=C(N)N)[nH]c2c1 |w:19.21,(-3.73,2.77,;-3.72,1.54,;-2.38,.77,;-2.38,-.77,;-1.03,-1.56,;.3,-.77,;1.76,-1.24,;2.66,.02,;4.21,.04,;4.96,1.39,;4.31,2.74,;5.42,3.8,;5.37,5.35,;6.71,6.16,;6.68,7.39,;8.06,5.42,;8.1,3.86,;6.77,3.07,;6.48,1.56,;7.53,.42,;9.03,.76,;10.08,-.38,;11.29,-.11,;9.71,-1.55,;1.76,1.24,;.3,.77,;-1.03,1.56,)| Show InChI InChI=1S/C18H17ClN6OS/c1-26-11-3-5-13-14(8-11)23-18(22-13)27-15-7-9-6-10(19)2-4-12(9)16(15)24-25-17(20)21/h2-6,8,15H,7H2,1H3,(H,22,23)(H4,20,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.940	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 platelet-rich plasma by optical swelling assay				Eur J Med Chem 44: 3771-6 (2009) Article DOI: 10.1016/j.ejmech.2009.04.036 BindingDB Entry DOI: 10.7270/Q2474BS7
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