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PubMed code 16870436

Compile data set for download or QSAR
Found 27 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))
BDBM50191852
PNG
(2-(5-(4-fluoro-3-methylphenyl)-4-(4-(4-methyl-1H-i...)
Show SMILES Cc1nc[nH]c1C1CCN(CC1)c1nc(CC#N)ncc1-c1ccc(F)c(C)c1
Show InChI InChI=1S/C22H23FN6/c1-14-11-17(3-4-19(14)23)18-12-25-20(5-8-24)28-22(18)29-9-6-16(7-10-29)21-15(2)26-13-27-21/h3-4,11-13,16H,5-7,9-10H2,1-2H3,(H,26,27)
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n/an/a 4.60n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))
BDBM50191839
PNG
(5-(1-(5-(3-chloro-4-fluorophenyl)pyrimidin-4-yl)pi...)
Show SMILES Cc1nc(N)[nH]c1C1CCN(CC1)c1ncncc1-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H20ClFN6/c1-11-17(26-19(22)25-11)12-4-6-27(7-5-12)18-14(9-23-10-24-18)13-2-3-16(21)15(20)8-13/h2-3,8-10,12H,4-7H2,1H3,(H3,22,25,26)
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n/an/a 5.40n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))
BDBM50191831
PNG
(5-(4-fluoro-3-methylphenyl)-2-methoxy-4-(4-(4-meth...)
Show SMILES COc1ncc(-c2ccc(F)c(C)c2)c(n1)N1CCC(CC1)c1[nH]cnc1C
Show InChI InChI=1S/C21H24FN5O/c1-13-10-16(4-5-18(13)22)17-11-23-21(28-3)26-20(17)27-8-6-15(7-9-27)19-14(2)24-12-25-19/h4-5,10-12,15H,6-9H2,1-3H3,(H,24,25)
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n/an/a 6.5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))
BDBM50191846
PNG
(5-(4-fluoro-3-methylphenyl)-2-isopropoxy-4-(4-(4-m...)
Show SMILES CC(C)Oc1ncc(-c2ccc(F)c(C)c2)c(n1)N1CCC(CC1)c1[nH]cnc1C
Show InChI InChI=1S/C23H28FN5O/c1-14(2)30-23-25-12-19(18-5-6-20(24)15(3)11-18)22(28-23)29-9-7-17(8-10-29)21-16(4)26-13-27-21/h5-6,11-14,17H,7-10H2,1-4H3,(H,26,27)
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n/an/a 7.40n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))
BDBM50191849
PNG
(5-(3-chloro-4-fluorophenyl)-2-methoxy-4-(4-(4-meth...)
Show SMILES COc1ncc(-c2ccc(F)c(Cl)c2)c(n1)N1CCC(CC1)c1[nH]cnc1C
Show InChI InChI=1S/C20H21ClFN5O/c1-12-18(25-11-24-12)13-5-7-27(8-6-13)19-15(10-23-20(26-19)28-2)14-3-4-17(22)16(21)9-14/h3-4,9-11,13H,5-8H2,1-2H3,(H,24,25)
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n/an/a 15n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))
BDBM50191833
PNG
(5-(4-fluoro-3-methylphenyl)-4-(4-(4-methyl-1H-imid...)
Show SMILES Cc1nc[nH]c1C1CCN(CC1)c1ncncc1-c1ccc(F)c(C)c1
Show InChI InChI=1S/C20H22FN5/c1-13-9-16(3-4-18(13)21)17-10-22-11-25-20(17)26-7-5-15(6-8-26)19-14(2)23-12-24-19/h3-4,9-12,15H,5-8H2,1-2H3,(H,23,24)
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n/an/a 21n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))
BDBM50191850
PNG
(4-(4-(4-methyl-1H-imidazol-5-yl)piperidin-1-yl)-5-...)
Show SMILES Cc1nc[nH]c1C1CCN(CC1)c1ncncc1-c1cccc(C)c1
Show InChI InChI=1S/C20H23N5/c1-14-4-3-5-17(10-14)18-11-21-12-24-20(18)25-8-6-16(7-9-25)19-15(2)22-13-23-19/h3-5,10-13,16H,6-9H2,1-2H3,(H,22,23)
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n/an/a 27n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))
BDBM50191847
PNG
(5-(3-chloro-4-fluorophenyl)-4-(4-(4-methyl-1H-imid...)
Show SMILES Cc1nc[nH]c1C1CCN(CC1)c1ncncc1-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H19ClFN5/c1-12-18(24-11-23-12)13-4-6-26(7-5-13)19-15(9-22-10-25-19)14-2-3-17(21)16(20)8-14/h2-3,8-11,13H,4-7H2,1H3,(H,23,24)
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n/an/a 41n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))
BDBM50191842
PNG
(5-(3-chlorophenyl)-4-(4-(4-methyl-1H-imidazol-5-yl...)
Show SMILES Cc1nc[nH]c1C1CCN(CC1)c1ncncc1-c1cccc(Cl)c1
Show InChI InChI=1S/C19H20ClN5/c1-13-18(23-12-22-13)14-5-7-25(8-6-14)19-17(10-21-11-24-19)15-3-2-4-16(20)9-15/h2-4,9-12,14H,5-8H2,1H3,(H,22,23)
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n/an/a 61n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))
BDBM50191851
PNG
(5-(2-chlorophenyl)-4-(4-(4-methyl-1H-imidazol-5-yl...)
Show SMILES Cc1nc[nH]c1C1CCN(CC1)c1ncncc1-c1ccccc1Cl
Show InChI InChI=1S/C19H20ClN5/c1-13-18(23-12-22-13)14-6-8-25(9-7-14)19-16(10-21-11-24-19)15-4-2-3-5-17(15)20/h2-5,10-12,14H,6-9H2,1H3,(H,22,23)
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n/an/a 61n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))
BDBM50191843
PNG
(2-(5-(4-fluoro-3-methylphenyl)-4-(4-(4-methyl-1H-i...)
Show SMILES CC(C)NC(=O)Cc1ncc(-c2ccc(F)c(C)c2)c(n1)N1CCC(CC1)c1[nH]cnc1C
Show InChI InChI=1S/C25H31FN6O/c1-15(2)30-23(33)12-22-27-13-20(19-5-6-21(26)16(3)11-19)25(31-22)32-9-7-18(8-10-32)24-17(4)28-14-29-24/h5-6,11,13-15,18H,7-10,12H2,1-4H3,(H,28,29)(H,30,33)
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n/an/a 87n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))
BDBM50191836
PNG
(4-(4-(4-methyl-1H-imidazol-5-yl)piperidin-1-yl)-5-...)
Show SMILES Cc1nc[nH]c1C1CCN(CC1)c1ncncc1-c1ccccc1C
Show InChI InChI=1S/C20H23N5/c1-14-5-3-4-6-17(14)18-11-21-12-24-20(18)25-9-7-16(8-10-25)19-15(2)22-13-23-19/h3-6,11-13,16H,7-10H2,1-2H3,(H,22,23)
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n/an/a 250n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))
BDBM50191832
PNG
(5-(3-methoxyphenyl)-4-(4-(4-methyl-1H-imidazol-5-y...)
Show SMILES COc1cccc(c1)-c1cncnc1N1CCC(CC1)c1[nH]cnc1C
Show InChI InChI=1S/C20H23N5O/c1-14-19(23-13-22-14)15-6-8-25(9-7-15)20-18(11-21-12-24-20)16-4-3-5-17(10-16)26-2/h3-5,10-13,15H,6-9H2,1-2H3,(H,22,23)
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n/an/a 350n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))
BDBM50191845
PNG
(5-(4-chlorophenyl)-4-(4-(4-methyl-1H-imidazol-5-yl...)
Show SMILES Cc1nc[nH]c1C1CCN(CC1)c1ncncc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN5/c1-13-18(23-12-22-13)15-6-8-25(9-7-15)19-17(10-21-11-24-19)14-2-4-16(20)5-3-14/h2-5,10-12,15H,6-9H2,1H3,(H,22,23)
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n/an/a 350n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(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 400n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))
BDBM50191841
PNG
(4-(4-(4-methyl-1H-imidazol-5-yl)piperidin-1-yl)-5-...)
Show SMILES Cc1nc[nH]c1C1CCN(CC1)c1ncncc1-c1ccccc1
Show InChI InChI=1S/C19H21N5/c1-14-18(22-13-21-14)16-7-9-24(10-8-16)19-17(11-20-12-23-19)15-5-3-2-4-6-15/h2-6,11-13,16H,7-10H2,1H3,(H,21,22)
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n/an/a 520n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))
BDBM50191838
PNG
(4-chloro-6-(4-(4-methyl-1H-imidazol-5-yl)piperidin...)
Show SMILES Cc1nc[nH]c1C1CCN(CC1)c1ncnc(Cl)c1-c1ccccc1
Show InChI InChI=1S/C19H20ClN5/c1-13-17(22-11-21-13)15-7-9-25(10-8-15)19-16(18(20)23-12-24-19)14-5-3-2-4-6-14/h2-6,11-12,15H,7-10H2,1H3,(H,21,22)
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n/an/a 580n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))
BDBM50191835
PNG
(4-ethoxy-6-(4-(4-methyl-1H-imidazol-5-yl)piperidin...)
Show SMILES CCOc1ncnc(N2CCC(CC2)c2[nH]cnc2C)c1-c1ccccc1
Show InChI InChI=1S/C21H25N5O/c1-3-27-21-18(16-7-5-4-6-8-16)20(24-14-25-21)26-11-9-17(10-12-26)19-15(2)22-13-23-19/h4-8,13-14,17H,3,9-12H2,1-2H3,(H,22,23)
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n/an/a 820n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))
BDBM50191837
PNG
(5-(2-methoxyphenyl)-4-(4-(4-methyl-1H-imidazol-5-y...)
Show SMILES COc1ccccc1-c1cncnc1N1CCC(CC1)c1[nH]cnc1C
Show InChI InChI=1S/C20H23N5O/c1-14-19(23-13-22-14)15-7-9-25(10-8-15)20-17(11-21-12-24-20)16-5-3-4-6-18(16)26-2/h3-6,11-13,15H,7-10H2,1-2H3,(H,22,23)
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n/an/a 940n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))
BDBM50191834
PNG
(4-(4-(4-methyl-1H-imidazol-5-yl)piperidin-1-yl)-5-...)
Show SMILES Cc1nc[nH]c1C1CCN(CC1)c1ncncc1-c1ccc(C)cc1
Show InChI InChI=1S/C20H23N5/c1-14-3-5-16(6-4-14)18-11-21-12-24-20(18)25-9-7-17(8-10-25)19-15(2)22-13-23-19/h3-6,11-13,17H,7-10H2,1-2H3,(H,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))
BDBM50191840
PNG
(CHEMBL379871 | N-(5-(1-(5-(3-chloro-4-fluorophenyl...)
Show SMILES CC(=O)Nc1nc(C)c([nH]1)C1CCN(CC1)c1ncncc1-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C21H22ClFN6O/c1-12-19(28-21(26-12)27-13(2)30)14-5-7-29(8-6-14)20-16(10-24-11-25-20)15-3-4-18(23)17(22)9-15/h3-4,9-11,14H,5-8H2,1-2H3,(H2,26,27,28,30)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(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 3.50E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))
BDBM50191844
PNG
(4-(4-(4-methyl-1H-imidazol-5-yl)piperidin-1-yl)-6-...)
Show SMILES Cc1nc[nH]c1C1CCN(CC1)c1ncnc(N2CCOCC2)c1-c1ccccc1
Show InChI InChI=1S/C23H28N6O/c1-17-21(25-15-24-17)19-7-9-28(10-8-19)22-20(18-5-3-2-4-6-18)23(27-16-26-22)29-11-13-30-14-12-29/h2-6,15-16,19H,7-14H2,1H3,(H,24,25)
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n/an/a 8.60E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 2


(Homo sapiens (Human))
BDBM50191831
PNG
(5-(4-fluoro-3-methylphenyl)-2-methoxy-4-(4-(4-meth...)
Show SMILES COc1ncc(-c2ccc(F)c(C)c2)c(n1)N1CCC(CC1)c1[nH]cnc1C
Show InChI InChI=1S/C21H24FN5O/c1-13-10-16(4-5-18(13)22)17-11-23-21(28-3)26-20(17)27-8-6-15(7-9-27)19-14(2)24-12-25-19/h4-5,10-12,15H,6-9H2,1-3H3,(H,24,25)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE2 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))
BDBM50191848
PNG
(5-(3-chloro-4-fluorophenyl)-4-(4-(1,4-dimethyl-1H-...)
Show SMILES Cc1ncn(C)c1C1CCN(CC1)c1ncncc1-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C20H21ClFN5/c1-13-19(26(2)12-25-13)14-5-7-27(8-6-14)20-16(10-23-11-24-20)15-3-4-18(22)17(21)9-15/h3-4,9-12,14H,5-8H2,1-2H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 2


(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 1.70E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE2 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 2


(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 6.20E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE2 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%