Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 1' and Ligand = 'BDBM50297575'   

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)	BDBM50297575 (2-{[(1E)-2-(1H-1,3-benzodiazol-2-ylsulfanyl)-4,5,6...) Show SMILES COc1cc2C(=NN=C(N)N)C(Cc2c(OC)c1OC)Sc1nc2ccccc2[nH]1 |w:6.6,(.51,-14.95,;.5,-13.41,;-.83,-12.64,;-.84,-11.11,;-2.16,-10.35,;-2.48,-8.84,;-1.45,-7.7,;.06,-8.01,;1.08,-6.86,;2.59,-7.18,;.6,-5.4,;-4.01,-8.69,;-4.64,-10.09,;-3.49,-11.11,;-3.49,-12.64,;-4.83,-13.41,;-6.16,-12.64,;-2.16,-13.41,;-2.16,-14.95,;-3.5,-15.73,;-4.78,-7.36,;-6.32,-7.36,;-7.23,-6.1,;-8.71,-6.58,;-10.05,-5.82,;-11.38,-6.59,;-11.38,-8.14,;-10.05,-8.91,;-8.71,-8.14,;-7.23,-8.61,)| Show InChI InChI=1S/C20H22N6O3S/c1-27-14-8-10-11(17(28-2)18(14)29-3)9-15(16(10)25-26-19(21)22)30-20-23-12-6-4-5-7-13(12)24-20/h4-8,15H,9H2,1-3H3,(H,23,24)(H4,21,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.8	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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