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Compile Data Set for Download or QSAR

Found 467 hits Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 1'   
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)
BDBM50353115
PNG
(CHEMBL1829127)
Show SMILES COc1ccc(CN2CCN(CCOc3ccc(cc3NC(=O)c3sccc3C)C(=O)NC(N)=N)CC2)c(OC)c1OC
Show InChI InChI=1S/C30H38N6O6S/c1-19-9-16-43-27(19)29(38)33-22-17-20(28(37)34-30(31)32)5-7-23(22)42-15-14-35-10-12-36(13-11-35)18-21-6-8-24(39-2)26(41-4)25(21)40-3/h5-9,16-17H,10-15,18H2,1-4H3,(H,33,38)(H4,31,32,34,37)
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n/an/a 0.0680n/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)

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


(Rattus norvegicus)
BDBM50353110
PNG
(CHEMBL1829122)
Show SMILES COc1ccc(CN2CCN(CCOc3ccc(cc3NC(=O)c3ccccc3[N+]([O-])=O)C(=O)NC(N)=N)CC2)c(OC)c1OC
Show InChI InChI=1S/C31H37N7O8/c1-43-26-11-9-21(27(44-2)28(26)45-3)19-37-14-12-36(13-15-37)16-17-46-25-10-8-20(29(39)35-31(32)33)18-23(25)34-30(40)22-6-4-5-7-24(22)38(41)42/h4-11,18H,12-17,19H2,1-3H3,(H,34,40)(H4,32,33,35,39)
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n/an/a 0.0730n/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)

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


(Rattus norvegicus)
BDBM50353113
PNG
(CHEMBL1829125)
Show SMILES COc1ccc(CN2CCN(CCOc3ccc(cc3NC(=O)c3ccc(Cl)cc3Cl)C(=O)NC(N)=N)CC2)c(OC)c1OC
Show InChI InChI=1S/C31H36Cl2N6O6/c1-42-26-9-5-20(27(43-2)28(26)44-3)18-39-12-10-38(11-13-39)14-15-45-25-8-4-19(29(40)37-31(34)35)16-24(25)36-30(41)22-7-6-21(32)17-23(22)33/h4-9,16-17H,10-15,18H2,1-3H3,(H,36,41)(H4,34,35,37,40)
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n/an/a 0.0840n/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)

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


(Rattus norvegicus)
BDBM50353114
PNG
(CHEMBL1829126)
Show SMILES COc1ccc(CN2CCN(CCOc3ccc(cc3NC(=O)c3cccs3)C(=O)NC(N)=N)CC2)c(OC)c1OC
Show InChI InChI=1S/C29H36N6O6S/c1-38-23-9-7-20(25(39-2)26(23)40-3)18-35-12-10-34(11-13-35)14-15-41-22-8-6-19(27(36)33-29(30)31)17-21(22)32-28(37)24-5-4-16-42-24/h4-9,16-17H,10-15,18H2,1-3H3,(H,32,37)(H4,30,31,33,36)
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n/an/a 0.0910n/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)

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


(Rattus norvegicus)
BDBM50353111
PNG
(CHEMBL1829123)
Show SMILES COc1ccc(CN2CCN(CCOc3ccc(cc3NS(=O)(=O)c3ccc(C)cc3)C(=O)NC(N)=N)CC2)c(OC)c1OC
Show InChI InChI=1S/C31H40N6O7S/c1-21-5-9-24(10-6-21)45(39,40)35-25-19-22(30(38)34-31(32)33)7-11-26(25)44-18-17-36-13-15-37(16-14-36)20-23-8-12-27(41-2)29(43-4)28(23)42-3/h5-12,19,35H,13-18,20H2,1-4H3,(H4,32,33,34,38)
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n/an/a 0.110n/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)

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


(Rattus norvegicus)
BDBM50353097
PNG
(CHEMBL1829132)
Show SMILES COc1ccc(CN2CCN(CCCOc3ccc(cc3NC(=O)c3ccccc3[N+]([O-])=O)C(=O)NC(N)=N)CC2)c(OC)c1OC
Show InChI InChI=1S/C32H39N7O8/c1-44-27-12-10-22(28(45-2)29(27)46-3)20-38-16-14-37(15-17-38)13-6-18-47-26-11-9-21(30(40)36-32(33)34)19-24(26)35-31(41)23-7-4-5-8-25(23)39(42)43/h4-5,7-12,19H,6,13-18,20H2,1-3H3,(H,35,41)(H4,33,34,36,40)
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n/an/a 0.310n/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)

More data for this
Ligand-Target Pair
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


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

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


(Rattus norvegicus)
BDBM50353116
PNG
(CHEMBL1829128)
Show SMILES COc1ccc(CN2CCN(CCOc3ccc(cc3NC(=O)c3ccsc3)C(=O)NC(N)=N)CC2)c(OC)c1OC
Show InChI InChI=1S/C29H36N6O6S/c1-38-24-7-5-20(25(39-2)26(24)40-3)17-35-11-9-34(10-12-35)13-14-41-23-6-4-19(27(36)33-29(30)31)16-22(23)32-28(37)21-8-15-42-18-21/h4-8,15-16,18H,9-14,17H2,1-3H3,(H,32,37)(H4,30,31,33,36)
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n/an/a 0.530n/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)

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


(Rattus norvegicus)
BDBM50353098
PNG
(CHEMBL1829133)
Show SMILES COc1ccc(CN2CCN(CCCOc3ccc(cc3NS(=O)(=O)c3ccc(C)cc3)C(=O)NC(N)=N)CC2)c(OC)c1OC
Show InChI InChI=1S/C32H42N6O7S/c1-22-6-10-25(11-7-22)46(40,41)36-26-20-23(31(39)35-32(33)34)8-12-27(26)45-19-5-14-37-15-17-38(18-16-37)21-24-9-13-28(42-2)30(44-4)29(24)43-3/h6-13,20,36H,5,14-19,21H2,1-4H3,(H4,33,34,35,39)
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n/an/a 0.560n/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)

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


(Rattus norvegicus)
BDBM50353103
PNG
(CHEMBL1829139)
Show SMILES COc1ccc(CN2CCN(CCCOc3ccc(cc3NC(=O)c3ccsc3)C(=O)NC(N)=N)CC2)c(OC)c1OC
Show InChI InChI=1S/C30H38N6O6S/c1-39-25-8-6-21(26(40-2)27(25)41-3)18-36-13-11-35(12-14-36)10-4-15-42-24-7-5-20(28(37)34-30(31)32)17-23(24)33-29(38)22-9-16-43-19-22/h5-9,16-17,19H,4,10-15,18H2,1-3H3,(H,33,38)(H4,31,32,34,37)
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n/an/a 0.670n/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)

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


(Rattus norvegicus)
BDBM50353102
PNG
(CHEMBL1829138)
Show SMILES COc1ccc(CN2CCN(CCCOc3ccc(cc3NC(=O)c3sccc3C)C(=O)NC(N)=N)CC2)c(OC)c1OC
Show InChI InChI=1S/C31H40N6O6S/c1-20-10-17-44-28(20)30(39)34-23-18-21(29(38)35-31(32)33)6-8-24(23)43-16-5-11-36-12-14-37(15-13-36)19-22-7-9-25(40-2)27(42-4)26(22)41-3/h6-10,17-18H,5,11-16,19H2,1-4H3,(H,34,39)(H4,32,33,35,38)
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n/an/a 0.920n/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)

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


(Rattus norvegicus)
BDBM50378116
PNG
(CHEMBL1202327)
Show SMILES COc1ccc2nc(SC3Cc4cc(Cl)ccc4C3=NN=C(N)N)[nH]c2c1
Show InChI InChI=1S/C18H17ClN6OS/c1-26-11-3-5-13-14(8-11)23-18(22-13)27-15-7-9-6-10(19)2-4-12(9)16(15)24-25-17(20)21/h2-6,8,15H,7H2,1H3,(H,22,23)(H4,20,21,25)
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n/an/a 0.940n/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)

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


(Rattus norvegicus)
BDBM50353105
PNG
(CHEMBL1829117)
Show SMILES COc1ccc(CN2CCN(CCOc3ccc(cc3[N+]([O-])=O)C(=O)[NH+]=C(N)[NH-])CC2)c(OC)c1OC
Show InChI InChI=1S/C24H32N6O7/c1-34-20-7-5-17(21(35-2)22(20)36-3)15-29-10-8-28(9-11-29)12-13-37-19-6-4-16(14-18(19)30(32)33)23(31)27-24(25)26/h4-7,14H,8-13,15H2,1-3H3,(H4,25,26,27,31)
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n/an/a 1.06n/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)

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


(Rattus norvegicus)
BDBM50353099
PNG
(CHEMBL1829134)
Show SMILES COc1ccc(CN2CCN(CCCOc3ccc(cc3NC(=O)c3ccc(cc3)C(F)(F)F)C(=O)NC(N)=N)CC2)c(OC)c1OC
Show InChI InChI=1S/C33H39F3N6O6/c1-45-27-12-8-23(28(46-2)29(27)47-3)20-42-16-14-41(15-17-42)13-4-18-48-26-11-7-22(31(44)40-32(37)38)19-25(26)39-30(43)21-5-9-24(10-6-21)33(34,35)36/h5-12,19H,4,13-18,20H2,1-3H3,(H,39,43)(H4,37,38,40,44)
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n/an/a 1.10n/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)

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


(Rattus norvegicus)
BDBM50297583
PNG
(CHEMBL560806 | N''-[2-(1H-benzimidazol-2-ylthio)-5...)
Show SMILES NC(N)=NN=C1C(Cc2cc(ccc12)[N+]([O-])=O)Sc1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H15N7O2S/c18-16(19)23-22-15-11-6-5-10(24(25)26)7-9(11)8-14(15)27-17-20-12-3-1-2-4-13(12)21-17/h1-7,14H,8H2,(H,20,21)(H4,18,19,23)
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n/an/a 1.17n/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)

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


(Rattus norvegicus)
BDBM50207580
PNG
(CHEMBL234074 | N-[3-(5-nitro-1H-benzoimidazol-2-yl...)
Show SMILES NC(=N)NC(=O)c1cccc(c1)-c1nc2ccc(cc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C15H12N6O3/c16-15(17)20-14(22)9-3-1-2-8(6-9)13-18-11-5-4-10(21(23)24)7-12(11)19-13/h1-7H,(H,18,19)(H4,16,17,20,22)
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n/an/a 1.42n/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)

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


(Rattus norvegicus)
BDBM50353101
PNG
(CHEMBL1829137)
Show SMILES COc1ccc(CN2CCN(CCCOc3ccc(cc3NC(=O)c3cccs3)C(=O)NC(N)=N)CC2)c(OC)c1OC
Show InChI InChI=1S/C30H38N6O6S/c1-39-24-10-8-21(26(40-2)27(24)41-3)19-36-14-12-35(13-15-36)11-5-16-42-23-9-7-20(28(37)34-30(31)32)18-22(23)33-29(38)25-6-4-17-43-25/h4,6-10,17-18H,5,11-16,19H2,1-3H3,(H,33,38)(H4,31,32,34,37)
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n/an/a 1.5n/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)

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


(Rattus norvegicus)
BDBM50297577
PNG
(CHEMBL549392 | N''-[2-(1H-benzimidazol-2-ylthio)-2...)
Show SMILES NC(N)=NN=C1C(Cc2ccccc12)Sc1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H16N6S/c18-16(19)23-22-15-11-6-2-1-5-10(11)9-14(15)24-17-20-12-7-3-4-8-13(12)21-17/h1-8,14H,9H2,(H,20,21)(H4,18,19,23)
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n/an/a 1.73n/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)

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


(Rattus norvegicus)
BDBM50297571
PNG
(CHEMBL561343 | N''-{2-[(5-nitro-1H-benzimidazol-2-...)
Show SMILES NC(N)=NN=C1C(Cc2ccccc12)Sc1nc2ccc(cc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C17H15N7O2S/c18-16(19)23-22-15-11-4-2-1-3-9(11)7-14(15)27-17-20-12-6-5-10(24(25)26)8-13(12)21-17/h1-6,8,14H,7H2,(H,20,21)(H4,18,19,23)
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n/an/a 1.74n/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)

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


(Rattus norvegicus)
BDBM50345911
PNG
(CHEMBL1783852 | CHEMBL1789669 | N-(diaminomethylen...)
Show SMILES COc1ccc(CN2CCN(Cc3ccc(cc3[N+]([O-])=O)C(=O)NC(N)=N)CC2)c(OC)c1OC
Show InChI InChI=1S/C23H30N6O6/c1-33-19-7-6-17(20(34-2)21(19)35-3)14-28-10-8-27(9-11-28)13-16-5-4-15(12-18(16)29(31)32)22(30)26-23(24)25/h4-7,12H,8-11,13-14H2,1-3H3,(H4,24,25,26,30)
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n/an/a 1.82n/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)

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


(Rattus norvegicus)
BDBM50297563
PNG
(CHEMBL550813 | N''-[2-(1,3-benzothiazol-2-ylthio)-...)
Show SMILES COc1ccc2CC(Sc3nc4ccccc4s3)C(=NN=C(N)N)c2c1
Show InChI InChI=1S/C18H17N5OS2/c1-24-11-7-6-10-8-15(16(12(10)9-11)22-23-17(19)20)26-18-21-13-4-2-3-5-14(13)25-18/h2-7,9,15H,8H2,1H3,(H4,19,20,23)
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n/an/a 1.90n/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)

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


(Rattus norvegicus)
BDBM50297578
PNG
(2-{[(1E)-2-(1,3-benzothiazol-2-ylsulfanyl)-4,5,6-t...)
Show SMILES COc1cc2C(=NN=C(N)N)C(Cc2c(OC)c1OC)Sc1nc2ccccc2s1
Show InChI InChI=1S/C20H21N5O3S2/c1-26-13-8-10-11(17(27-2)18(13)28-3)9-15(16(10)24-25-19(21)22)30-20-23-12-6-4-5-7-14(12)29-20/h4-8,15H,9H2,1-3H3,(H4,21,22,25)
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n/an/a 1.98n/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)

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


(Rattus norvegicus)
BDBM50297580
PNG
(CHEMBL560884 | N''-[2-(1,3-benzothiazol-2-ylthio)-...)
Show SMILES NC(N)=NN=C1C(Cc2cc(Cl)ccc12)Sc1nc2ccccc2s1
Show InChI InChI=1S/C17H14ClN5S2/c18-10-5-6-11-9(7-10)8-14(15(11)22-23-16(19)20)25-17-21-12-3-1-2-4-13(12)24-17/h1-7,14H,8H2,(H4,19,20,23)
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n/an/a 2.34n/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)

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


(Rattus norvegicus)
BDBM50297562
PNG
(CHEMBL563178 | N''-[2-(1,3-benzothiazol-2-ylthio)-...)
Show SMILES COc1cc2CC(Sc3nc4ccccc4s3)C(=NN=C(N)N)c2cc1OC
Show InChI InChI=1S/C19H19N5O2S2/c1-25-13-7-10-8-16(28-19-22-12-5-3-4-6-15(12)27-19)17(23-24-18(20)21)11(10)9-14(13)26-2/h3-7,9,16H,8H2,1-2H3,(H4,20,21,24)
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n/an/a 2.44n/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)

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


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


(Rattus norvegicus)
BDBM50345911
PNG
(CHEMBL1783852 | CHEMBL1789669 | N-(diaminomethylen...)
Show SMILES COc1ccc(CN2CCN(Cc3ccc(cc3[N+]([O-])=O)C(=O)NC(N)=N)CC2)c(OC)c1OC
Show InChI InChI=1S/C23H30N6O6/c1-33-19-7-6-17(20(34-2)21(19)35-3)14-28-10-8-27(9-11-28)13-16-5-4-15(12-18(16)29(31)32)22(30)26-23(24)25/h4-7,12H,8-11,13-14H2,1-3H3,(H4,24,25,26,30)
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n/an/a 3.60n/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)

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


(Rattus norvegicus)
BDBM50207583
PNG
(CHEMBL234279 | N-[2-(5-nitro-1H-benzoimidazol-2-yl...)
Show SMILES NC(=N)NC(=O)c1ccccc1-c1nc2ccc(cc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C15H12N6O3/c16-15(17)20-14(22)10-4-2-1-3-9(10)13-18-11-6-5-8(21(23)24)7-12(11)19-13/h1-7H,(H,18,19)(H4,16,17,20,22)
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n/an/a 4.05n/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)

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


(Rattus norvegicus)
BDBM50345917
PNG
(CHEMBL1783857 | N-(diaminomethylene)-3-(N-methylsu...)
Show SMILES CNS(=O)(=O)c1cc(ccc1C(C)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)C(=O)NC(N)=N
Show InChI InChI=1S/C25H36N6O6S/c1-16(19-8-6-17(24(32)29-25(26)27)14-21(19)38(33,34)28-2)31-12-10-30(11-13-31)15-18-7-9-20(35-3)23(37-5)22(18)36-4/h6-9,14,16,28H,10-13,15H2,1-5H3,(H4,26,27,29,32)
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n/an/a 4.48n/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)

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


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

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


J Med Chem 55: 7114-40 (2012)

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


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


Citation and Details
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


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

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


J Med Chem 55: 7114-40 (2012)

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


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.


Citation and Details
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


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

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


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

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.


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


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

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


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

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.


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
Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity


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


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

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


J Med Chem 55: 7114-40 (2012)

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


(Rattus norvegicus)
BDBM50297575
PNG
(2-{[(1E)-2-(1H-1,3-benzodiazol-2-ylsulfanyl)-4,5,6...)
Show SMILES COc1cc2C(=NN=C(N)N)C(Cc2c(OC)c1OC)Sc1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H22N6O3S/c1-27-14-8-10-11(17(28-2)18(14)29-3)9-15(16(10)25-26-19(21)22)30-20-23-12-6-4-5-7-13(12)24-20/h4-8,15H,9H2,1-3H3,(H,23,24)(H4,21,22,26)
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n/an/a 10.8n/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)

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


J Med Chem 55: 7114-40 (2012)

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


(Rattus norvegicus)
BDBM50207572
PNG
(CHEMBL234072 | N-[4-(5-nitro-1H-benzoimidazol-2-yl...)
Show SMILES NC(=N)NC(=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C15H12N6O3/c16-15(17)20-14(22)9-3-1-8(2-4-9)13-18-11-6-5-10(21(23)24)7-12(11)19-13/h1-7H,(H,18,19)(H4,16,17,20,22)
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n/an/a 11n/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)

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


(Rattus norvegicus)
BDBM50345908
PNG
(CHEMBL1783849 | N-(diaminomethylene)-2-((4-(2,3,4-...)
Show SMILES COc1ccc(CN2CCN(Cc3ccccc3C(=O)NC(N)=N)CC2)c(OC)c1OC
Show InChI InChI=1S/C23H31N5O4/c1-30-19-9-8-17(20(31-2)21(19)32-3)15-28-12-10-27(11-13-28)14-16-6-4-5-7-18(16)22(29)26-23(24)25/h4-9H,10-15H2,1-3H3,(H4,24,25,26,29)
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n/an/a 11.1n/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)

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


(Rattus norvegicus)
BDBM50297576
PNG
(CHEMBL561142 | N''-[2-(1H-benzimidazol-2-ylthio)-5...)
Show SMILES COc1cc2CC(Sc3nc4ccccc4[nH]3)C(=NN=C(N)N)c2cc1OC
Show InChI InChI=1S/C19H20N6O2S/c1-26-14-7-10-8-16(28-19-22-12-5-3-4-6-13(12)23-19)17(24-25-18(20)21)11(10)9-15(14)27-2/h3-7,9,16H,8H2,1-2H3,(H,22,23)(H4,20,21,25)
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n/an/a 11.2n/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)

More data for this
Ligand-Target Pair
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