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Compile Data Set for Download or QSAR

Found 342 hits Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
BDBM50201454
PNG
(CHEMBL392093 | N-(diaminomethylene)-5-(2,5-dichlor...)
Show SMILES NC(=N)NC(=O)c1oc(cc1N1CCCC1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C16H16Cl2N4O2/c17-9-3-4-11(18)10(7-9)13-8-12(22-5-1-2-6-22)14(24-13)15(23)21-16(19)20/h3-4,7-8H,1-2,5-6H2,(H4,19,20,21,23)
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n/an/a 0.480n/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


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104843
PNG
(CHEMBL419578 | N-[3-(3-Bromo-4-fluoro-phenyl)-2,2-...)
Show SMILES CC1(C)[C@@H]([C@H]1c1ccc(F)c(Br)c1)C(=O)NC(N)=N
Show InChI InChI=1S/C13H15BrFN3O/c1-13(2)9(10(13)11(19)18-12(16)17)6-3-4-8(15)7(14)5-6/h3-5,9-10H,1-2H3,(H4,16,17,18,19)/t9-,10+/m1/s1
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n/an/a 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)

More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104846
PNG
(CHEMBL113443 | N-[3-(2,5-Dichloro-phenyl)-2,2-dime...)
Show SMILES CC1(C)[C@@H]([C@H]1c1cc(Cl)ccc1Cl)C(=O)NC(N)=N
Show InChI InChI=1S/C13H15Cl2N3O/c1-13(2)9(10(13)11(19)18-12(16)17)7-5-6(14)3-4-8(7)15/h3-5,9-10H,1-2H3,(H4,16,17,18,19)/t9-,10+/m1/s1
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n/an/a 5n/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)

More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50396463
PNG
(CHEMBL2170611)
Show SMILES CC(=O)N1CCC(CC1)c1cc(C)c(cc1C(F)(F)F)C(=O)NC(N)=N
Show InChI InChI=1S/C17H21F3N4O2/c1-9-7-13(11-3-5-24(6-4-11)10(2)25)14(17(18,19)20)8-12(9)15(26)23-16(21)22/h7-8,11H,3-6H2,1-2H3,(H4,21,22,23,26)
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104848
PNG
(CHEMBL112903 | N-[3-(3-Ethyl-4-fluoro-phenyl)-2,2-...)
Show SMILES CCc1cc(ccc1F)[C@@H]1[C@@H](C(=O)NC(N)=N)C1(C)C
Show InChI InChI=1S/C15H20FN3O/c1-4-8-7-9(5-6-10(8)16)11-12(15(11,2)3)13(20)19-14(17)18/h5-7,11-12H,4H2,1-3H3,(H4,17,18,19,20)/t11-,12+/m1/s1
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n/an/a 5n/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)

More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104856
PNG
(CHEMBL51363 | N-[(1R,3S)-3-(3,5-Dichloro-phenyl)-2...)
Show SMILES CC1(C)[C@@H]([C@H]1c1cc(Cl)cc(Cl)c1)C(=O)NC(N)=N
Show InChI InChI=1S/C13H15Cl2N3O/c1-13(2)9(10(13)11(19)18-12(16)17)6-3-7(14)5-8(15)4-6/h3-5,9-10H,1-2H3,(H4,16,17,18,19)/t9-,10+/m1/s1
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n/an/a 6n/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)

More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50396469
PNG
(CHEMBL2170610)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
Show InChI InChI=1S/C16H19F3N4O2/c1-9(24)23-6-4-10(5-7-23)12-3-2-11(14(25)22-15(20)21)8-13(12)16(17,18)19/h2-3,8,10H,4-7H2,1H3,(H4,20,21,22,25)
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n/an/a 6n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104856
PNG
(CHEMBL51363 | N-[(1R,3S)-3-(3,5-Dichloro-phenyl)-2...)
Show SMILES CC1(C)[C@@H]([C@H]1c1cc(Cl)cc(Cl)c1)C(=O)NC(N)=N
Show InChI InChI=1S/C13H15Cl2N3O/c1-13(2)9(10(13)11(19)18-12(16)17)6-3-7(14)5-8(15)4-6/h3-5,9-10H,1-2H3,(H4,16,17,18,19)/t9-,10+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of sodium dependent recovery of pH following imposed acidosis in AP1 cell line expressing the human NHE-1 isoform.


Bioorg Med Chem Lett 14: 177-80 (2003)

More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50201465
PNG
(3-amino-N-(diaminomethylene)-5-(2,5-dichlorophenyl...)
Show SMILES NC(=N)NC(=O)c1oc(cc1N)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C12H10Cl2N4O2/c13-5-1-2-7(14)6(3-5)9-4-8(15)10(20-9)11(19)18-12(16)17/h1-4H,15H2,(H4,16,17,18,19)
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n/an/a 8n/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


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50137552
PNG
(5-[(1R,3S)-3-(3,5-Dichloro-phenyl)-2,2-dimethyl-cy...)
Show SMILES Cc1nc(N)[nH]c1[C@@H]1[C@@H](c2cc(Cl)cc(Cl)c2)C1(C)C
Show InChI InChI=1S/C15H17Cl2N3/c1-7-13(20-14(18)19-7)12-11(15(12,2)3)8-4-9(16)6-10(17)5-8/h4-6,11-12H,1-3H3,(H3,18,19,20)/t11-,12+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of sodium dependent recovery of pH following imposed acidosis in AP1 cell line expressing the human NHE-1 isoform.


Bioorg Med Chem Lett 14: 177-80 (2003)

More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
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 9n/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)

More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50201443
PNG
(CHEMBL395897 | N-(diaminomethylene)-5-(2,5-dichlor...)
Show SMILES CN(C)c1cc(oc1C(=O)NC(N)=N)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C14H14Cl2N4O2/c1-20(2)10-6-11(8-5-7(15)3-4-9(8)16)22-12(10)13(21)19-14(17)18/h3-6H,1-2H3,(H4,17,18,19,21)
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n/an/a 9n/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


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
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 9n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of sodium dependent recovery of pH following imposed acidosis in AP1 cell line expressing the human NHE-1 isoform.


Bioorg Med Chem Lett 14: 177-80 (2003)

More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50396471
PNG
(CHEMBL2170608)
Show SMILES COCC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
Show InChI InChI=1S/C17H21F3N4O3/c1-27-9-14(25)24-6-4-10(5-7-24)12-3-2-11(15(26)23-16(21)22)8-13(12)17(18,19)20/h2-3,8,10H,4-7,9H2,1H3,(H4,21,22,23,26)
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n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50201470
PNG
(5-(5-chloro-2-methoxyphenyl)-N-(diaminomethylene)-...)
Show SMILES COc1ccc(Cl)cc1-c1cc(C)c(o1)C(=O)NC(N)=N
Show InChI InChI=1S/C14H14ClN3O3/c1-7-5-11(21-12(7)13(19)18-14(16)17)9-6-8(15)3-4-10(9)20-2/h3-6H,1-2H3,(H4,16,17,18,19)
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n/an/a 10n/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


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50396470
PNG
(CHEMBL2170609)
Show SMILES CCC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
Show InChI InChI=1S/C17H21F3N4O2/c1-2-14(25)24-7-5-10(6-8-24)12-4-3-11(15(26)23-16(21)22)9-13(12)17(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H4,21,22,23,26)
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n/an/a 11n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50201447
PNG
(5-(5-chloro-2-methoxyphenyl)-N-(diaminomethylene)-...)
Show SMILES COc1ccc(Cl)cc1-c1cc(N(C)C)c(o1)C(=O)NC(N)=N
Show InChI InChI=1S/C15H17ClN4O3/c1-20(2)10-7-12(23-13(10)14(21)19-15(17)18)9-6-8(16)4-5-11(9)22-3/h4-7H,1-3H3,(H4,17,18,19,21)
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n/an/a 12n/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


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104852
PNG
(CHEMBL321198 | N-[3-(3-Methoxy-phenyl)-2,2-dimethy...)
Show SMILES COc1cccc(c1)[C@@H]1[C@@H](C(=O)NC(N)=N)C1(C)C
Show InChI InChI=1S/C14H19N3O2/c1-14(2)10(11(14)12(18)17-13(15)16)8-5-4-6-9(7-8)19-3/h4-7,10-11H,1-3H3,(H4,15,16,17,18)/t10-,11+/m1/s1
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n/an/a 12n/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)

More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50396435
PNG
(CHEMBL2170617)
Show SMILES Cn1ccnc1C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
Show InChI InChI=1S/C19H21F3N6O2/c1-27-9-6-25-15(27)17(30)28-7-4-11(5-8-28)13-3-2-12(16(29)26-18(23)24)10-14(13)19(20,21)22/h2-3,6,9-11H,4-5,7-8H2,1H3,(H4,23,24,26,29)
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n/an/a 14n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50396436
PNG
(CHEMBL2170615)
Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(cc2)S(N)(=O)=O)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H22F3N5O4S/c22-21(23,24)17-11-14(18(30)28-20(25)26)3-6-16(17)12-7-9-29(10-8-12)19(31)13-1-4-15(5-2-13)34(27,32)33/h1-6,11-12H,7-10H2,(H2,27,32,33)(H4,25,26,28,30)
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n/an/a 14n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104842
PNG
(CHEMBL297962 | N-[(1R,3S)-3-(3-Chloro-phenyl)-2,2-...)
Show SMILES CC1(C)[C@@H]([C@H]1c1cccc(Cl)c1)C(=O)NC(N)=N
Show InChI InChI=1S/C13H16ClN3O/c1-13(2)9(7-4-3-5-8(14)6-7)10(13)11(18)17-12(15)16/h3-6,9-10H,1-2H3,(H4,15,16,17,18)/t9-,10+/m1/s1
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n/an/a 14n/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)

More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50396443
PNG
(CHEMBL2170632)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
Show InChI InChI=1S/C22H23F3N4O4S/c1-34(32,33)16-5-2-14(3-6-16)20(31)29-10-8-13(9-11-29)17-7-4-15(19(30)28-21(26)27)12-18(17)22(23,24)25/h2-7,12-13H,8-11H2,1H3,(H4,26,27,28,30)
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n/an/a 15n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50396464
PNG
(CHEMBL2170603)
Show SMILES CC(=O)N1CCC(CC1)c1cc(C)c(cc1S(C)(=O)=O)C(=O)NC(N)=N
Show InChI InChI=1S/C17H24N4O4S/c1-10-8-14(12-4-6-21(7-5-12)11(2)22)15(26(3,24)25)9-13(10)16(23)20-17(18)19/h8-9,12H,4-7H2,1-3H3,(H4,18,19,20,23)
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n/an/a 15n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50201472
PNG
(3-amino-5-(5-chloro-2-methoxyphenyl)-N-(diaminomet...)
Show SMILES COc1ccc(Cl)cc1-c1cc(N)c(o1)C(=O)NC(N)=N
Show InChI InChI=1S/C13H13ClN4O3/c1-20-9-3-2-6(14)4-7(9)10-5-8(15)11(21-10)12(19)18-13(16)17/h2-5H,15H2,1H3,(H4,16,17,18,19)
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n/an/a 15n/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


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50396465
PNG
(CHEMBL2169894)
Show SMILES CCC(=O)N1CCC(CC1)c1cc(C)c(cc1S(C)(=O)=O)C(=O)NC(N)=N
Show InChI InChI=1S/C18H26N4O4S/c1-4-16(23)22-7-5-12(6-8-22)14-9-11(2)13(17(24)21-18(19)20)10-15(14)27(3,25)26/h9-10,12H,4-8H2,1-3H3,(H4,19,20,21,24)
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n/an/a 15n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50396472
PNG
(CHEMBL2170607)
Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)C2CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H21F3N4O2/c19-18(20,21)14-9-12(15(26)24-17(22)23)3-4-13(14)10-5-7-25(8-6-10)16(27)11-1-2-11/h3-4,9-11H,1-2,5-8H2,(H4,22,23,24,26)
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n/an/a 16n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50292303
PNG
(CHEMBL397141 | N-(diaminomethylene)-5-(2,5-dichlor...)
Show SMILES Cc1cc(oc1C(=O)NC(N)=N)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C13H11Cl2N3O2/c1-6-4-10(8-5-7(14)2-3-9(8)15)20-11(6)12(19)18-13(16)17/h2-5H,1H3,(H4,16,17,18,19)
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n/an/a 16n/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


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104862
PNG
(CHEMBL110637 | N-[3-(4-Fluoro-3-isopropyl-phenyl)-...)
Show SMILES CC(C)c1cc(ccc1F)[C@@H]1[C@@H](C(=O)NC(N)=N)C1(C)C
Show InChI InChI=1S/C16H22FN3O/c1-8(2)10-7-9(5-6-11(10)17)12-13(16(12,3)4)14(21)20-15(18)19/h5-8,12-13H,1-4H3,(H4,18,19,20,21)/t12-,13+/m1/s1
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n/an/a 17n/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)

More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50396441
PNG
(CHEMBL2170635)
Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccncc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H20F3N5O2/c21-20(22,23)16-11-14(17(29)27-19(24)25)1-2-15(16)12-5-9-28(10-6-12)18(30)13-3-7-26-8-4-13/h1-4,7-8,11-12H,5-6,9-10H2,(H4,24,25,27,29)
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n/an/a 18n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50396440
PNG
(CHEMBL2170636)
Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2cccnc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H20F3N5O2/c21-20(22,23)16-10-13(17(29)27-19(24)25)3-4-15(16)12-5-8-28(9-6-12)18(30)14-2-1-7-26-11-14/h1-4,7,10-12H,5-6,8-9H2,(H4,24,25,27,29)
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n/an/a 18n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50396439
PNG
(CHEMBL2170637)
Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccccn2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H20F3N5O2/c21-20(22,23)15-11-13(17(29)27-19(24)25)4-5-14(15)12-6-9-28(10-7-12)18(30)16-3-1-2-8-26-16/h1-5,8,11-12H,6-7,9-10H2,(H4,24,25,27,29)
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n/an/a 18n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50396434
PNG
(CHEMBL2170618)
Show SMILES Cn1cncc1C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
Show InChI InChI=1S/C19H21F3N6O2/c1-27-10-25-9-15(27)17(30)28-6-4-11(5-7-28)13-3-2-12(16(29)26-18(23)24)8-14(13)19(20,21)22/h2-3,8-11H,4-7H2,1H3,(H4,23,24,26,29)
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n/an/a 18n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50396468
PNG
(CHEMBL2170612)
Show SMILES COc1cc(C2CCN(CC2)C(C)=O)c(cc1C(=O)NC(N)=N)C(F)(F)F
Show InChI InChI=1S/C17H21F3N4O3/c1-9(25)24-5-3-10(4-6-24)11-8-14(27-2)12(15(26)23-16(21)22)7-13(11)17(18,19)20/h7-8,10H,3-6H2,1-2H3,(H4,21,22,23,26)
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n/an/a 19n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50396437
PNG
(CHEMBL2170639)
Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(=O)[nH]c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H20F3N5O3/c21-20(22,23)15-9-12(17(30)27-19(24)25)1-3-14(15)11-5-7-28(8-6-11)18(31)13-2-4-16(29)26-10-13/h1-4,9-11H,5-8H2,(H,26,29)(H4,24,25,27,30)
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n/an/a 19n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50396449
PNG
(CHEMBL2170628)
Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(O)cc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H21F3N4O3/c22-21(23,24)17-11-14(18(30)27-20(25)26)3-6-16(17)12-7-9-28(10-8-12)19(31)13-1-4-15(29)5-2-13/h1-6,11-12,29H,7-10H2,(H4,25,26,27,30)
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n/an/a 21n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104842
PNG
(CHEMBL297962 | N-[(1R,3S)-3-(3-Chloro-phenyl)-2,2-...)
Show SMILES CC1(C)[C@@H]([C@H]1c1cccc(Cl)c1)C(=O)NC(N)=N
Show InChI InChI=1S/C13H16ClN3O/c1-13(2)9(7-4-3-5-8(14)6-7)10(13)11(18)17-12(15)16/h3-6,9-10H,1-2H3,(H4,15,16,17,18)/t9-,10+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of sodium dependent recovery of pH following imposed acidosis in AP1 cell line expressing the human NHE-1 isoform.


Bioorg Med Chem Lett 14: 177-80 (2003)

More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50396466
PNG
(CHEMBL2170614)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(cc1S(C)(=O)=O)C(=O)NC(N)=N
Show InChI InChI=1S/C16H22N4O4S/c1-10(21)20-7-5-11(6-8-20)13-4-3-12(15(22)19-16(17)18)9-14(13)25(2,23)24/h3-4,9,11H,5-8H2,1-2H3,(H4,17,18,19,22)
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n/an/a 22n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50396436
PNG
(CHEMBL2170615)
Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(cc2)S(N)(=O)=O)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H22F3N5O4S/c22-21(23,24)17-11-14(18(30)28-20(25)26)3-6-16(17)12-7-9-29(10-8-12)19(31)13-1-4-15(5-2-13)34(27,32)33/h1-6,11-12H,7-10H2,(H2,27,32,33)(H4,25,26,28,30)
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n/an/a 23n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in human platelet rich plasma assessed as reduction of propionate medium induced platelet swelling measured every 6 secs for 5 min...


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50396446
PNG
(CHEMBL2170629)
Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(cc2)C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H20F3N5O2/c23-22(24,25)18-11-16(19(31)29-21(27)28)5-6-17(18)14-7-9-30(10-8-14)20(32)15-3-1-13(12-26)2-4-15/h1-6,11,14H,7-10H2,(H4,27,28,29,31)
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n/an/a 24n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50201450
PNG
(CHEMBL232974 | N-(diaminomethylene)-3-methyl-5-phe...)
Show SMILES Cc1cc(oc1C(=O)NC(N)=N)-c1ccccc1
Show InChI InChI=1S/C13H13N3O2/c1-8-7-10(9-5-3-2-4-6-9)18-11(8)12(17)16-13(14)15/h2-7H,1H3,(H4,14,15,16,17)
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n/an/a 24n/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


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50201446
PNG
(5-(3-chlorophenyl)-N-(diaminomethylene)-3-methylfu...)
Show SMILES Cc1cc(oc1C(=O)NC(N)=N)-c1cccc(Cl)c1
Show InChI InChI=1S/C13H12ClN3O2/c1-7-5-10(8-3-2-4-9(14)6-8)19-11(7)12(18)17-13(15)16/h2-6H,1H3,(H4,15,16,17,18)
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n/an/a 24n/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


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50396437
PNG
(CHEMBL2170639)
Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(=O)[nH]c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H20F3N5O3/c21-20(22,23)15-9-12(17(30)27-19(24)25)1-3-14(15)11-5-7-28(8-6-11)18(31)13-2-4-16(29)26-10-13/h1-4,9-11H,5-8H2,(H,26,29)(H4,24,25,27,30)
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n/an/a 25n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in human platelet rich plasma assessed as reduction of propionate medium induced platelet swelling measured every 6 secs for 5 min...


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50396438
PNG
(CHEMBL2170638)
Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(cc2)C(N)=O)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5O3/c23-22(24,25)17-11-15(19(32)29-21(27)28)5-6-16(17)12-7-9-30(10-8-12)20(33)14-3-1-13(2-4-14)18(26)31/h1-6,11-12H,7-10H2,(H2,26,31)(H4,27,28,29,32)
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n/an/a 26n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
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