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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 = 'BDBM50196793'   
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


(Homo sapiens (Human))		BDBM50196793
PNG
(CHEMBL3966292)
Show SMILES [H][C@@]12CN(C)C[C@]1([H])CN(C2)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H26Cl2N2O3S/c1-26-10-14-12-27(13-15(14)11-26)22-9-19-20(7-16(24)8-21(19)25)23(22)30-17-3-5-18(6-4-17)31(2,28)29/h3-8,14-15,22-23H,9-13H2,1-2H3/t14-,15+,22-,23-/m0/s1
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n/an/a 241n/an/an/an/an/an/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
More data for this
Ligand-Target Pair