Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 3' and Ligand = 'BDBM50196791'   

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 3 (Homo sapiens (Human))	BDBM50196791 (CHEMBL3907461) Show SMILES CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCC[C@H](C2)NCCF)cc1 |r| Show InChI InChI=1S/C23H27Cl2FN2O3S/c1-32(29,30)18-6-4-17(5-7-18)31-23-20-11-15(24)12-21(25)19(20)13-22(23)28-10-2-3-16(14-28)27-9-8-26/h4-7,11-12,16,22-23,27H,2-3,8-10,13-14H2,1H3/t16-,22+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
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