Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 1' and Ligand = 'BDBM50297577'   

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)	BDBM50297577 (CHEMBL549392 | N''-[2-(1H-benzimidazol-2-ylthio)-2...) Show SMILES NC(N)=NN=C1C(Cc2ccccc12)Sc1nc2ccccc2[nH]1 |w:4.3,(18.41,3.83,;16.9,4.15,;16.42,5.61,;15.87,3,;14.36,3.31,;13.33,2.17,;11.8,2.32,;11.17,.92,;12.32,-.11,;12.32,-1.64,;13.65,-2.41,;14.98,-1.63,;14.98,-.11,;13.65,.66,;11.03,3.65,;9.49,3.65,;8.57,4.91,;7.1,4.43,;5.75,5.19,;4.43,4.42,;4.42,2.87,;5.76,2.1,;7.1,2.87,;8.58,2.39,)| Show InChI InChI=1S/C17H16N6S/c18-16(19)23-22-15-11-6-2-1-5-10(11)9-14(15)24-17-20-12-7-3-4-8-13(12)21-17/h1-8,14H,9H2,(H,20,21)(H4,18,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73	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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