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BDBM50196812 CHEMBL3946835

SMILES: CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCC[C@@H](N)C2)cc1

InChI Key: InChIKey=WZEJGUBYBYUIAF-OREJSRFESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50196812   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sodium/hydrogen exchanger 3


(Homo sapiens (Human))		BDBM50196812
PNG
(CHEMBL3946835)
Show SMILES CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCC[C@@H](N)C2)cc1 |r|
Show InChI InChI=1S/C21H24Cl2N2O3S/c1-29(26,27)16-6-4-15(5-7-16)28-21-18-9-13(22)10-19(23)17(18)11-20(21)25-8-2-3-14(24)12-25/h4-7,9-10,14,20-21H,2-3,8,11-12,24H2,1H3/t14-,20+,21+/m1/s1
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Similars
Article
PubMed
n/an/a 4n/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