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Compile Data Set for Download or QSAR

Found 124 hits Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 1' AND taxid = 10116   
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


(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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


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 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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


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


(Rattus norvegicus)
BDBM50345914
PNG
(CHEMBL1783830 | N-(diaminomethylene)-3-sulfamoyl-4...)
Show SMILES COc1ccc(CN2CCN(Cc3ccc(cc3S(N)(=O)=O)C(=O)NC(N)=N)CC2)c(OC)c1OC
Show InChI InChI=1S/C23H32N6O6S/c1-33-18-7-6-17(20(34-2)21(18)35-3)14-29-10-8-28(9-11-29)13-16-5-4-15(22(30)27-23(24)25)12-19(16)36(26,31)32/h4-7,12H,8-11,13-14H2,1-3H3,(H2,26,31,32)(H4,24,25,27,30)
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n/an/a 11.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of NHE1-mediated rat platelet swelling


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


(Rattus norvegicus)
BDBM50297569
PNG
(CHEMBL563763 | N''-{5-chloro-2-[(5-nitro-1H-benzim...)
Show SMILES NC(N)=NN=C1C(Cc2cc(Cl)ccc12)Sc1nc2ccc(cc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C17H14ClN7O2S/c18-9-1-3-11-8(5-9)6-14(15(11)23-24-16(19)20)28-17-21-12-4-2-10(25(26)27)7-13(12)22-17/h1-5,7,14H,6H2,(H,21,22)(H4,19,20,24)
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n/an/a 12.2n/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


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


(Rattus norvegicus)
BDBM50115243
PNG
((S)-N-[7-(5-fluoro-2-methylphenyl)-4-methyl-(7S)-5...)
Show SMILES Cc1ccc(F)cc1[C@H]1CC(=NN=C(N)N)c2c(C)ccnc2C1
Show InChI InChI=1S/C18H20FN5/c1-10-3-4-13(19)9-14(10)12-7-15-17(11(2)5-6-22-15)16(8-12)23-24-18(20)21/h3-6,9,12H,7-8H2,1-2H3,(H4,20,21,24)/t12-/m1/s1
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n/an/a 14n/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)

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


(Rattus norvegicus)
BDBM50345912
PNG
(CHEMBL1783853 | N-(diaminomethylene)-4-nitro-3-((4...)
Show SMILES COc1ccc(CN2CCN(Cc3cc(ccc3[N+]([O-])=O)C(=O)NC(N)=N)CC2)c(OC)c1OC
Show InChI InChI=1S/C23H30N6O6/c1-33-19-7-5-16(20(34-2)21(19)35-3)13-27-8-10-28(11-9-27)14-17-12-15(22(30)26-23(24)25)4-6-18(17)29(31)32/h4-7,12H,8-11,13-14H2,1-3H3,(H4,24,25,26,30)
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n/an/a 14.2n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of NHE1-mediated rat platelet swelling


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


(Rattus norvegicus)
BDBM50345916
PNG
(CHEMBL1783856 | N-(diaminomethylene)-3-(N-methylsu...)
Show SMILES CNS(=O)(=O)c1cc(ccc1CN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)C(=O)NC(N)=N
Show InChI InChI=1S/C24H34N6O6S/c1-27-37(32,33)20-13-16(23(31)28-24(25)26)5-6-17(20)14-29-9-11-30(12-10-29)15-18-7-8-19(34-2)22(36-4)21(18)35-3/h5-8,13,27H,9-12,14-15H2,1-4H3,(H4,25,26,28,31)
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n/an/a 15n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of NHE1-mediated rat platelet swelling


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


(Rattus norvegicus)
BDBM50297566
PNG
(CHEMBL549925 | N''-{2-[(5-methoxy-1H-benzimidazol-...)
Show SMILES COc1ccc2nc(SC3Cc4ccccc4C3=NN=C(N)N)[nH]c2c1
Show InChI InChI=1S/C18H18N6OS/c1-25-11-6-7-13-14(9-11)22-18(21-13)26-15-8-10-4-2-3-5-12(10)16(15)23-24-17(19)20/h2-7,9,15H,8H2,1H3,(H,21,22)(H4,19,20,24)
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n/an/a 16.8n/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


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


(Rattus norvegicus)
BDBM50115239
PNG
((S)-N-[7-(2,5-dichloro-3-thienyl)-4-methyl-(7S)-5,...)
Show SMILES Cc1ccnc2C[C@H](CC(=NN=C(N)N)c12)c1cc(Cl)sc1Cl
Show InChI InChI=1S/C15H15Cl2N5S/c1-7-2-3-20-10-4-8(9-6-12(16)23-14(9)17)5-11(13(7)10)21-22-15(18)19/h2-3,6,8H,4-5H2,1H3,(H4,18,19,22)/t8-/m1/s1
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n/an/a 17n/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)

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


(Rattus norvegicus)
BDBM50345913
PNG
(CHEMBL1783854 | N-(diaminomethylene)-3-nitro-4-(1-...)
Show SMILES COc1ccc(CN2CCN(CC2)C(C)c2ccc(cc2[N+]([O-])=O)C(=O)NC(N)=N)c(OC)c1OC
Show InChI InChI=1S/C24H32N6O6/c1-15(18-7-5-16(13-19(18)30(32)33)23(31)27-24(25)26)29-11-9-28(10-12-29)14-17-6-8-20(34-2)22(36-4)21(17)35-3/h5-8,13,15H,9-12,14H2,1-4H3,(H4,25,26,27,31)
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n/an/a 18.7n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of NHE1-mediated rat platelet swelling


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


(Rattus norvegicus)
BDBM50115271
PNG
(CHEMBL556009 | N-[7-(2,5-dichloro-3-thienyl)-4-met...)
Show SMILES Cc1ccnc2CC(CC(=NN=C(N)N)c12)c1cc(Cl)sc1Cl
Show InChI InChI=1S/C15H15Cl2N5S/c1-7-2-3-20-10-4-8(9-6-12(16)23-14(9)17)5-11(13(7)10)21-22-15(18)19/h2-3,6,8H,4-5H2,1H3,(H4,18,19,22)
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n/an/a 19n/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)

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


(Rattus norvegicus)
BDBM50115248
PNG
(CHEMBL552723 | N-[7-(3-chloro-2-thienyl)-4-methyl-...)
Show SMILES Cc1ccnc2CC(CC(=NN=C(N)N)c12)c1sccc1Cl
Show InChI InChI=1S/C15H16ClN5S/c1-8-2-4-19-11-6-9(14-10(16)3-5-22-14)7-12(13(8)11)20-21-15(17)18/h2-5,9H,6-7H2,1H3,(H4,17,18,21)
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n/an/a 19n/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)

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


(Rattus norvegicus)
BDBM50115246
PNG
(CHEMBL543867 | N-[7-(2-chloro-5-fluorophenyl)-4-me...)
Show SMILES Cc1ccnc2CC(CC(=NN=C(N)N)c12)c1cc(F)ccc1Cl
Show InChI InChI=1S/C17H17ClFN5/c1-9-4-5-22-14-6-10(12-8-11(19)2-3-13(12)18)7-15(16(9)14)23-24-17(20)21/h2-5,8,10H,6-7H2,1H3,(H4,20,21,24)
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n/an/a 19n/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)

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


(Rattus norvegicus)
BDBM50115267
PNG
(CHEMBL102546 | N-[7-(2-chlorophenyl)-4-methyl-(7S)...)
Show SMILES Cc1ccnc2C[C@H](CC(=NN=C(N)N)c12)c1ccccc1Cl
Show InChI InChI=1S/C17H18ClN5/c1-10-6-7-21-14-8-11(12-4-2-3-5-13(12)18)9-15(16(10)14)22-23-17(19)20/h2-7,11H,8-9H2,1H3,(H4,19,20,23)/t11-/m1/s1
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n/an/a 20n/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)

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


(Rattus norvegicus)
BDBM50297579
PNG
(CHEMBL550335 | N''-[2-(1,3-benzothiazol-2-ylthio)-...)
Show SMILES NC(N)=NN=C1C(Cc2c1cccc2Cl)Sc1nc2ccccc2s1
Show InChI InChI=1S/C17H14ClN5S2/c18-11-5-3-4-9-10(11)8-14(15(9)22-23-16(19)20)25-17-21-12-6-1-2-7-13(12)24-17/h1-7,14H,8H2,(H4,19,20,23)
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n/an/a 20.3n/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


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


(Rattus norvegicus)
BDBM50297574
PNG
(CHEMBL557259 | N''-[2-(1H-benzimidazol-2-ylthio)-5...)
Show SMILES NC(N)=NN=C1C(Cc2cc(Cl)ccc12)Sc1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H15ClN6S/c18-10-5-6-11-9(7-10)8-14(15(11)23-24-16(19)20)25-17-21-12-3-1-2-4-13(12)22-17/h1-7,14H,8H2,(H,21,22)(H4,19,20,24)
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n/an/a 21.4n/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


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


(Rattus norvegicus)
BDBM50115268
PNG
(CHEMBL554001 | N-[7-(2-chloro-3-thienyl)-4-methyl-...)
Show SMILES Cc1ccnc2CC(CC(=NN=C(N)N)c12)c1ccsc1Cl
Show InChI InChI=1S/C15H16ClN5S/c1-8-2-4-19-11-6-9(10-3-5-22-14(10)16)7-12(13(8)11)20-21-15(17)18/h2-5,9H,6-7H2,1H3,(H4,17,18,21)
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n/an/a 22n/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)

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


(Rattus norvegicus)
BDBM50297564
PNG
(CHEMBL550611 | N''-{6-fluoro-2-[(5-methoxy-1H-benz...)
Show SMILES COc1ccc2nc(SC3Cc4ccc(F)cc4C3=NN=C(N)N)[nH]c2c1
Show InChI InChI=1S/C18H17FN6OS/c1-26-11-4-5-13-14(8-11)23-18(22-13)27-15-6-9-2-3-10(19)7-12(9)16(15)24-25-17(20)21/h2-5,7-8,15H,6H2,1H3,(H,22,23)(H4,20,21,25)
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n/an/a 25.5n/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


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


(Rattus norvegicus)
BDBM50115238
PNG
(CHEMBL552865 | N-[7-(2-chlorophenyl)-4-methyl-5,6,...)
Show SMILES Cc1cnnc2CC(CC(=NN=C(N)N)c12)c1ccccc1Cl
Show InChI InChI=1S/C16H17ClN6/c1-9-8-20-21-13-6-10(11-4-2-3-5-12(11)17)7-14(15(9)13)22-23-16(18)19/h2-5,8,10H,6-7H2,1H3,(H4,18,19,23)
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n/an/a 26n/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)

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


(Rattus norvegicus)
BDBM50207574
PNG
(CHEMBL233048 | N-{3-(morpholine-4-sulfonyl)-4-[4-(...)
Show SMILES NC(=N)NC(=O)c1ccc(CSc2ccc(cc2)-c2nc3ccc(cc3[nH]2)[N+]([O-])=O)c(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C26H25N7O6S2/c27-26(28)31-25(34)17-1-2-18(23(13-17)41(37,38)32-9-11-39-12-10-32)15-40-20-6-3-16(4-7-20)24-29-21-8-5-19(33(35)36)14-22(21)30-24/h1-8,13-14H,9-12,15H2,(H,29,30)(H4,27,28,31,34)
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n/an/a 27.1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50207579
PNG
(CHEMBL232838 | N-{3-methanesulfonyl-4-[4-(5-nitro-...)
Show SMILES CS(=O)(=O)c1cc(ccc1CSc1ccc(cc1)-c1nc2ccc(cc2[nH]1)[N+]([O-])=O)C(=O)NC(N)=N
Show InChI InChI=1S/C23H20N6O5S2/c1-36(33,34)20-10-14(22(30)28-23(24)25)2-3-15(20)12-35-17-7-4-13(5-8-17)21-26-18-9-6-16(29(31)32)11-19(18)27-21/h2-11H,12H2,1H3,(H,26,27)(H4,24,25,28,30)
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n/an/a 27.8n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50115245
PNG
(CHEMBL554215 | N-[4-methyl-7-(3-thienyl)-5,6,7,8-t...)
Show SMILES Cc1ccnc2CC(CC(=NN=C(N)N)c12)c1ccsc1
Show InChI InChI=1S/C15H17N5S/c1-9-2-4-18-12-6-11(10-3-5-21-8-10)7-13(14(9)12)19-20-15(16)17/h2-5,8,11H,6-7H2,1H3,(H4,16,17,20)
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n/an/a 30n/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)

More data for this
Ligand-Target Pair
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