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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger' AND taxid = 8313   
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 1/2/3


(Oryctolagus cuniculus)
BDBM50471141
PNG
(CHEMBL304627)
Show SMILES [#6]-c1cc(-[#8]-c2ccc(Cl)cc2)c(cc1-[#6](=O)\[#7]=[#6](/[#7])-[#7])S([#6])(=O)=O
Show InChI InChI=1S/C16H16ClN3O4S/c1-9-7-13(24-11-5-3-10(17)4-6-11)14(25(2,22)23)8-12(9)15(21)20-16(18)19/h3-8H,1-2H3,(H4,18,19,20,21)
PDB

UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 5-N-(ethyl isopropyl)-amiloride[EIPA]-sensitive Na+ uptake into acidified rabbit erythrocytes.


J Med Chem 40: 2017-34 (1997)


Article DOI: 10.1021/jm960768n
BindingDB Entry DOI: 10.7270/Q28055BJ
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger


(Amphiuma tridactylum)
BDBM50270005
PNG
(5'-(N-ethyl-N-isopropyl)amiloride | CHEMBL1909809 ...)
Show SMILES CCN(C(C)C)c1nc(N)c(nc1Cl)C(=O)NC(N)=N
Show InChI InChI=1S/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)
PDB

UniProtKB/TrEMBL

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CHEMBL
MCE
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UniChem

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Article
PubMed
n/an/a 8.70E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Amphiuma tridactylum wild type NHE1 expressed in chinese hamster AP1 cells assessed as intracellular pHi recovery by ammonium chloride ...


J Biol Chem 282: 19716-27 (2007)


Article DOI: 10.1074/jbc.M701637200
BindingDB Entry DOI: 10.7270/Q2N0169D
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger


(Amphiuma tridactylum)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
PDB

UniProtKB/TrEMBL

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CHEMBL
MCE
KEGG
MMDB
PC cid
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PDB
UniChem

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Article
PubMed
n/an/a 9.80E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Amphiuma tridactylum wild type NHE1 expressed in chinese hamster AP1 cells assessed as intracellular pHi recovery by ammonium chloride ...


J Biol Chem 282: 19716-27 (2007)


Article DOI: 10.1074/jbc.M701637200
BindingDB Entry DOI: 10.7270/Q2N0169D
More data for this
Ligand-Target Pair