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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 1' and Ligand = 'BDBM50353105'   
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 1


(Rattus norvegicus)
BDBM50353105
PNG
(CHEMBL1829117)
Show SMILES COc1ccc(CN2CCN(CCOc3ccc(cc3[N+]([O-])=O)C(=O)[NH+]=C(N)[NH-])CC2)c(OC)c1OC |w:25.25|
Show InChI InChI=1S/C24H32N6O7/c1-34-20-7-5-17(21(35-2)22(20)36-3)15-29-10-8-28(9-11-29)12-13-37-19-6-4-16(14-18(19)30(32)33)23(31)27-24(25)26/h4-7,14H,8-13,15H2,1-3H3,(H4,25,26,27,31)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.06n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in Sprague-Dawley rat assessed as inhibition of acid-induced platelet swelling by spectrophotometric analysis


Eur J Med Chem 46: 4107-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.011
BindingDB Entry DOI: 10.7270/Q27081T0
More data for this
Ligand-Target Pair