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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 5' AND taxid = 9606   
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 5


(Homo sapiens (Human))
BDBM50196789
PNG
(CHEMBL3892788)
Show SMILES Cl.Cc1nnc(C)n1-c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CC[C@@H](O)C2)c(F)c1 |r|
Show InChI InChI=1S/C23H23Cl2FN4O2.ClH/c1-12-27-28-13(2)30(12)15-3-4-22(20(26)9-15)32-23-18-7-14(24)8-19(25)17(18)10-21(23)29-6-5-16(31)11-29;/h3-4,7-9,16,21,23,31H,5-6,10-11H2,1-2H3;1H/t16-,21+,23+;/m1./s1
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Article
PubMed
n/an/a 291n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human NHE5 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
Sodium/hydrogen exchanger 5


(Homo sapiens (Human))
BDBM50104844
PNG
(BMS-284640 | CHEMBL51879 | N-[(1R,3R)-3-(2,3-Dihyd...)
Show SMILES CC1(C)[C@@H]([C@H]1c1cccc2OCCc12)C(=O)NC(N)=N
Show InChI InChI=1S/C15H19N3O2/c1-15(2)11(12(15)13(19)18-14(16)17)9-4-3-5-10-8(9)6-7-20-10/h3-5,11-12H,6-7H2,1-2H3,(H4,16,17,18,19)/t11-,12+/m1/s1
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n/an/a 3.36E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound is screened in AP1 cells expressing human NHE-5 for sodium hydrogen exchange activity


J Med Chem 44: 3302-10 (2001)


BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 5


(Homo sapiens (Human))
BDBM50058759
PNG
(CHEMBL436559 | CHEMBL462831 | Cariporide | N-(4-Is...)
Show SMILES CC(C)c1ccc(cc1S(C)(=O)=O)C(=O)NC(N)=N
Show InChI InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound is screened in AP1 cells expressing human NHE-5 for sodium hydrogen exchange activity


J Med Chem 44: 3302-10 (2001)


BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 5


(Homo sapiens (Human))
BDBM50058715
PNG
(CHEMBL64360 | EMD-96785 | ENIPORIDE | N-(5-Methane...)
Show SMILES Cc1cc(c(cc1C(=O)NC(N)=N)S(C)(=O)=O)-n1cccc1
Show InChI InChI=1S/C14H16N4O3S/c1-9-7-11(18-5-3-4-6-18)12(22(2,20)21)8-10(9)13(19)17-14(15)16/h3-8H,1-2H3,(H4,15,16,17,19)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound is screened in AP1 cells expressing human NHE-5 for sodium hydrogen exchange activity


J Med Chem 44: 3302-10 (2001)


BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair