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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 1' and Ligand = 'BDBM50058759'   
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)
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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Article
PubMed
n/an/a 30.7n/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
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
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 65n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of NHE1-mediated rat platelet swelling


Bioorg Med Chem Lett 19: 3283-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.079
BindingDB Entry DOI: 10.7270/Q2BR8SJ1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
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 65n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in Sprague-Dawley rat platelet-rich plasma by optical swelling assay


Eur J Med Chem 44: 3771-6 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.036
BindingDB Entry DOI: 10.7270/Q2474BS7
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
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 65n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in rat platelets by Platelet swelling assay


Bioorg Med Chem Lett 17: 2430-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.035
BindingDB Entry DOI: 10.7270/Q21C1WJ1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
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 75n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
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 560n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit NHE-1 mediated intracellular maximal pH recovery by 50%


Bioorg Med Chem Lett 11: 803-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TM79CK
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 680n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against human sodium/hydrogen exchanger (NHE-1) in PS120 variant cells


Bioorg Med Chem Lett 15: 2998-3001 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.046
BindingDB Entry DOI: 10.7270/Q2NP23XH
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 1.20E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in PS120 cells assessed as imposed acidosis


Bioorg Med Chem Lett 19: 1329-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.060
BindingDB Entry DOI: 10.7270/Q20P0ZWR
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 1.20E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against Na+/H+ exchanger 1 (NHE-1) expressed in PS120 cells


J Med Chem 48: 2882-91 (2005)


Article DOI: 10.1021/jm0492305
BindingDB Entry DOI: 10.7270/Q2RV0N6M
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 1.20E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in PS120 cells


Bioorg Med Chem Lett 17: 1291-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.012
BindingDB Entry DOI: 10.7270/Q2MW2GS1
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 3.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Screened in AP1 cells expressing human NHE-1 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 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