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BDBM50196798 CHEMBL3897294

SMILES: CNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCC2)c(Cl)c1Cl

InChI Key: InChIKey=XJCPDFYRBAAIQI-YWZLYKJASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50196798   
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))
BDBM50196798
PNG
(CHEMBL3897294)
Show SMILES CNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCC2)c(Cl)c1Cl
Show InChI InChI=1S/C20H22Cl2N2O3S/c1-23-28(25,26)17-9-8-16(18(21)19(17)22)27-20-14-7-3-2-6-13(14)12-15(20)24-10-4-5-11-24/h2-3,6-9,15,20,23H,4-5,10-12H2,1H3/t15-,20-/m0/s1
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Article
PubMed
n/an/a 475n/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