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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 3' and Ligand = 'BDBM50196789'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Sodium/hydrogen exchanger 3


(Rattus norvegicus)		BDBM50196789
PNG
(CHEMBL3892788)
Show SMILES Cl.Cc1nnc(C)n1-c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CC[C@@H](O)C2)c(F)c1 |r|
Show InChI InChI=1S/C23H23Cl2FN4O2.ClH/c1-12-27-28-13(2)30(12)15-3-4-22(20(26)9-15)32-23-18-7-14(24)8-19(25)17(18)10-21(23)29-6-5-16(31)11-29;/h3-4,7-9,16,21,23,31H,5-6,10-11H2,1-2H3;1H/t16-,21+,23+;/m1./s1
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of rat 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
More data for this
Ligand-Target Pair