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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 = 'BDBM50196794'   
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))
BDBM50196794
PNG
(CHEMBL3921160)
Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H24Cl2N2O3S/c1-30(27,28)17-4-2-16(3-5-17)29-22-19-6-15(23)7-20(24)18(19)8-21(22)26-11-13-9-25-10-14(13)12-26/h2-7,13-14,21-22,25H,8-12H2,1H3/t13-,14+,21-,22-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/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