Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 1' and Ligand = 'BDBM50297569'   

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)	BDBM50297569 (CHEMBL563763 | N''-{5-chloro-2-[(5-nitro-1H-benzim...) Show SMILES NC(N)=NN=C1C(Cc2cc(Cl)ccc12)Sc1nc2ccc(cc2[nH]1)[N+]([O-])=O |w:4.3,(6.38,-34.14,;4.87,-33.82,;4.39,-32.36,;3.84,-34.97,;2.33,-34.66,;1.3,-35.8,;-.23,-35.65,;-.86,-37.05,;.29,-38.08,;.29,-39.61,;1.62,-40.38,;1.62,-41.92,;2.95,-39.61,;2.95,-38.08,;1.63,-37.31,;-1,-34.32,;-2.54,-34.32,;-3.45,-35.58,;-4.93,-35.1,;-6.27,-35.87,;-7.6,-35.1,;-7.6,-33.55,;-6.28,-32.78,;-4.93,-33.54,;-3.46,-33.06,;-8.94,-32.78,;-8.95,-31.24,;-10.28,-33.55,)| Show InChI InChI=1S/C17H14ClN7O2S/c18-9-1-3-11-8(5-9)6-14(15(11)23-24-16(19)20)28-17-21-12-4-2-10(25(26)27)7-13(12)22-17/h1-5,7,14H,6H2,(H,21,22)(H4,19,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.2	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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