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Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50003495   
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 3


(Oryctolagus cuniculus)
BDBM50058715
PNG
(CHEMBL64360 | EMD-96785 | ENIPORIDE | N-(5-Methane...)
Show SMILES Cc1cc(c(cc1C(=O)NC(N)=N)S(C)(=O)=O)-n1cccc1
Show InChI InChI=1S/C14H16N4O3S/c1-9-7-11(18-5-3-4-6-18)12(22(2,20)21)8-10(9)13(19)17-14(15)16/h3-8H,1-2H3,(H4,15,16,17,19)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471819
PNG
(CHEMBL332433)
Show SMILES [#6]-c1cc2-[#6](=[#6])C([#6])([#6])S(=O)(=O)c2cc1-[#6](=O)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C14H17N3O3S/c1-7-5-10-8(2)14(3,4)21(19,20)11(10)6-9(7)12(18)17-13(15)16/h5-6H,2H2,1,3-4H3,(H4,15,16,17,18)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471814
PNG
(CHEMBL126367)
Show SMILES [#6]-[#6]1-c2cc(-[#6])c(cc2S(=O)(=O)C1([#6])[#6])-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C14H19N3O3S/c1-7-5-10-8(2)14(3,4)21(19,20)11(10)6-9(7)12(18)17-13(15)16/h5-6,8H,1-4H3,(H4,15,16,17,18)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471802
PNG
(CHEMBL124274)
Show SMILES [#6]-c1cc2\[#6](-[#6]S(=O)(=O)c2cc1-[#6](=O)\[#7]=[#6](\[#7])-[#7])=[#7]\[#8]
Show InChI InChI=1S/C11H12N4O4S/c1-5-2-7-8(15-17)4-20(18,19)9(7)3-6(5)10(16)14-11(12)13/h2-3,17H,4H2,1H3,(H4,12,13,14,16)/b15-8+
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471801
PNG
(CHEMBL331794)
Show SMILES [#6]-c1cc2c(cc1-[#6](=O)\[#7]=[#6](/[#7])-[#7])S(=O)(=O)C([#6])([#6])C2([#6])[#8]
Show InChI InChI=1S/C14H19N3O4S/c1-7-5-9-10(6-8(7)11(18)17-12(15)16)22(20,21)13(2,3)14(9,4)19/h5-6,19H,1-4H3,(H4,15,16,17,18)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471791
PNG
(CHEMBL439605)
Show SMILES [#6]-c1cc2-[#6]-[#6]-[#6]-[#6]S(=O)(=O)c2cc1-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C13H17N3O3S/c1-8-6-9-4-2-3-5-20(18,19)11(9)7-10(8)12(17)16-13(14)15/h6-7H,2-5H2,1H3,(H4,14,15,16,17)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471796
PNG
(CHEMBL124547)
Show SMILES [#6]-[#6](-[#6])-[#6]-1-[#6]S(=O)(=O)c2cc(-[#6](=O)\[#7]=[#6](\[#7])-[#7])c(-[#6])cc-12
Show InChI InChI=1S/C14H19N3O3S/c1-7(2)11-6-21(19,20)12-5-9(8(3)4-10(11)12)13(18)17-14(15)16/h4-5,7,11H,6H2,1-3H3,(H4,15,16,17,18)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471794
PNG
(CHEMBL124044)
Show SMILES [#6]-[#6]-[#6]-1-[#6]S(=O)(=O)c2cc(-[#6](=O)\[#7]=[#6](\[#7])-[#7])c(-[#6])cc-12
Show InChI InChI=1S/C13H17N3O3S/c1-3-8-6-20(18,19)11-5-9(7(2)4-10(8)11)12(17)16-13(14)15/h4-5,8H,3,6H2,1-2H3,(H4,14,15,16,17)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50234609
PNG
(Cariporide | HOE-642)
Show SMILES [#6]-[#6](-[#6])-c1ccc(cc1S([#6])(=O)=O)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471811
PNG
(CHEMBL126060)
Show SMILES [#6]-[#8]-[#6]1-c2cc(-[#6])c(cc2S(=O)(=O)C1([#6])[#6])-[#6](=O)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C14H19N3O4S/c1-7-5-9-10(6-8(7)12(18)17-13(15)16)22(19,20)14(2,3)11(9)21-4/h5-6,11H,1-4H3,(H4,15,16,17,18)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471823
PNG
(CHEMBL341296)
Show SMILES [#6]-c1cc2-[#8]-[#6]-[#6]-[#6]S(=O)(=O)c2cc1-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C12H15N3O4S/c1-7-5-9-10(20(17,18)4-2-3-19-9)6-8(7)11(16)15-12(13)14/h5-6H,2-4H2,1H3,(H4,13,14,15,16)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471812
PNG
(CHEMBL331630)
Show SMILES [#6]-c1cc2-[#6](-[#8])C([#6])([#6])S(=O)(=O)c2cc1-[#6](=O)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C13H17N3O4S/c1-6-4-8-9(5-7(6)11(18)16-12(14)15)21(19,20)13(2,3)10(8)17/h4-5,10,17H,1-3H3,(H4,14,15,16,18)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471815
PNG
(CHEMBL123578)
Show SMILES [#6]-c1cc2-[#6](=[#6])-[#6]-[#6]S(=O)(=O)c2cc1-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C13H15N3O3S/c1-7-3-4-20(18,19)11-6-10(8(2)5-9(7)11)12(17)16-13(14)15/h5-6H,1,3-4H2,2H3,(H4,14,15,16,17)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471805
PNG
(CHEMBL122142)
Show SMILES [#6]-c1cc2c(cc1-[#6](=O)\[#7]=[#6](\[#7])-[#7])S(=O)(=O)[#6]C2([#6])[#8]
Show InChI InChI=1S/C12H15N3O4S/c1-6-3-8-9(20(18,19)5-12(8,2)17)4-7(6)10(16)15-11(13)14/h3-4,17H,5H2,1-2H3,(H4,13,14,15,16)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471808
PNG
(CHEMBL333059)
Show SMILES [#6]-[#6]C1([#8])[#6]S(=O)(=O)c2cc(-[#6](=O)\[#7]=[#6](\[#7])-[#7])c(-[#6])cc12
Show InChI InChI=1S/C13H17N3O4S/c1-3-13(18)6-21(19,20)10-5-8(7(2)4-9(10)13)11(17)16-12(14)15/h4-5,18H,3,6H2,1-2H3,(H4,14,15,16,17)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471803
PNG
(CHEMBL123859)
Show SMILES [#6]-c1cc2-[#8]-[#6]C([#6])([#6])S(=O)(=O)c2cc1-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C13H17N3O4S/c1-7-4-9-10(5-8(7)11(17)16-12(14)15)21(18,19)13(2,3)6-20-9/h4-5H,6H2,1-3H3,(H4,14,15,16,17)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471804
PNG
(CHEMBL421240)
Show SMILES [#6]-[#6]-1-[#6]C([#6])([#6])S(=O)(=O)c2cc(-[#6](=O)\[#7]=[#6](\[#7])-[#7])c(-[#6])cc-12
Show InChI InChI=1S/C15H21N3O3S/c1-8-5-10-9(2)7-15(3,4)22(20,21)12(10)6-11(8)13(19)18-14(16)17/h5-6,9H,7H2,1-4H3,(H4,16,17,18,19)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471813
PNG
(CHEMBL331457)
Show SMILES [#6]-[#8]C1([#6])[#6]S(=O)(=O)c2cc(-[#6](=O)\[#7]=[#6](\[#7])-[#7])c(-[#6])cc12
Show InChI InChI=1S/C13H17N3O4S/c1-7-4-9-10(5-8(7)11(17)16-12(14)15)21(18,19)6-13(9,2)20-3/h4-5H,6H2,1-3H3,(H4,14,15,16,17)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471807
PNG
(CHEMBL125283)
Show SMILES [#6]-c1cc2c(cc1-[#6](=O)\[#7]=[#6](\[#7])-[#7])S(=O)(=O)[#6]C2([#8])[#6](=O)-c1ccccc1
Show InChI InChI=1S/C18H17N3O5S/c1-10-7-13-14(8-12(10)16(23)21-17(19)20)27(25,26)9-18(13,24)15(22)11-5-3-2-4-6-11/h2-8,24H,9H2,1H3,(H4,19,20,21,23)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471818
PNG
(CHEMBL273539)
Show SMILES [#6]-[#6]-1-[#6]S(=O)(=O)c2cc(-[#6](=O)\[#7]=[#6](\[#7])-[#7])c(-[#6])cc-12
Show InChI InChI=1S/C12H15N3O3S/c1-6-3-8-7(2)5-19(17,18)10(8)4-9(6)11(16)15-12(13)14/h3-4,7H,5H2,1-2H3,(H4,13,14,15,16)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471795
PNG
(CHEMBL123160)
Show SMILES [#6]-[#8]\[#7]=[#6]-1/[#6]S(=O)(=O)c2cc(-[#6](=O)\[#7]=[#6](\[#7])-[#7])c(-[#6])cc-12
Show InChI InChI=1S/C12H14N4O4S/c1-6-3-8-9(16-20-2)5-21(18,19)10(8)4-7(6)11(17)15-12(13)14/h3-4H,5H2,1-2H3,(H4,13,14,15,17)/b16-9+
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471816
PNG
(CHEMBL125952)
Show SMILES [#6]-[#6]-1-[#6]-[#6]S(=O)(=O)c2cc(-[#6](=O)\[#7]=[#6](\[#7])-[#7])c(-[#6])cc-12
Show InChI InChI=1S/C13H17N3O3S/c1-7-3-4-20(18,19)11-6-10(8(2)5-9(7)11)12(17)16-13(14)15/h5-7H,3-4H2,1-2H3,(H4,14,15,16,17)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471790
PNG
(CHEMBL333480)
Show SMILES [#6]\[#6](-[#6])=[#6]-1\[#6]S(=O)(=O)c2cc(-[#6](=O)\[#7]=[#6](/[#7])-[#7])c(-[#6])cc-12
Show InChI InChI=1S/C14H17N3O3S/c1-7(2)11-6-21(19,20)12-5-9(8(3)4-10(11)12)13(18)17-14(15)16/h4-5H,6H2,1-3H3,(H4,15,16,17,18)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471820
PNG
(CHEMBL330935)
Show SMILES [#6]-[#6]1-[#6](-[#7])-c2cc(-[#6])c(cc2S1(=O)=O)-[#6](=O)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C12H16N4O3S/c1-5-3-8-9(20(18,19)6(2)10(8)13)4-7(5)11(17)16-12(14)15/h3-4,6,10H,13H2,1-2H3,(H4,14,15,16,17)
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n/an/a 56n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471799
PNG
(CHEMBL124884)
Show SMILES [#6]-c1cc2-[#6]-[#6]S(=O)(=O)c2cc1-[#6](=O)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C11H13N3O3S/c1-6-4-7-2-3-18(16,17)9(7)5-8(6)10(15)14-11(12)13/h4-5H,2-3H2,1H3,(H4,12,13,14,15)
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n/an/a 60n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471797
PNG
(CHEMBL124762)
Show SMILES [#6]-c1cc2c(cc1-[#6](=O)\[#7]=[#6](/[#7])-[#7])S(=O)(=O)[#6]C21[#8]-[#6]-[#6]-[#8]1
Show InChI InChI=1S/C13H15N3O5S/c1-7-4-9-10(5-8(7)11(17)16-12(14)15)22(18,19)6-13(9)20-2-3-21-13/h4-5H,2-3,6H2,1H3,(H4,14,15,16,17)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471809
PNG
(CHEMBL333804)
Show SMILES [#6]-c1cc2-[#6](-[#8])-[#6]S(=O)(=O)c2cc1-[#6](=O)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C11H13N3O4S/c1-5-2-7-8(15)4-19(17,18)9(7)3-6(5)10(16)14-11(12)13/h2-3,8,15H,4H2,1H3,(H4,12,13,14,16)
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n/an/a 70n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471817
PNG
(CHEMBL122853)
Show SMILES [#6]-c1cc2-[#6](=O)C([#6])([#6])S(=O)(=O)c2cc1-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C13H15N3O4S/c1-6-4-8-9(5-7(6)11(18)16-12(14)15)21(19,20)13(2,3)10(8)17/h4-5H,1-3H3,(H4,14,15,16,18)
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n/an/a 93n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471792
PNG
(CHEMBL340249)
Show SMILES [#6]-c1cc2-[#6]-[#6]-[#6]S(=O)(=O)c2cc1-[#6](=O)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C12H15N3O3S/c1-7-5-8-3-2-4-19(17,18)10(8)6-9(7)11(16)15-12(13)14/h5-6H,2-4H2,1H3,(H4,13,14,15,16)
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n/an/a 95n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471821
PNG
(CHEMBL121732)
Show SMILES [#6]-c1cc2-[#6](=O)-[#6]-[#6]S(=O)(=O)c2cc1-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C12H13N3O4S/c1-6-4-8-9(16)2-3-20(18,19)10(8)5-7(6)11(17)15-12(13)14/h4-5H,2-3H2,1H3,(H4,13,14,15,17)
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n/an/a 96n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471810
PNG
(CHEMBL445376)
Show SMILES [#6]-[#8]-[#6]-1-[#6]S(=O)(=O)c2cc(-[#6](=O)\[#7]=[#6](/[#7])-[#7])c(-[#6])cc-12
Show InChI InChI=1S/C12H15N3O4S/c1-6-3-8-9(19-2)5-20(17,18)10(8)4-7(6)11(16)15-12(13)14/h3-4,9H,5H2,1-2H3,(H4,13,14,15,16)
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n/an/a 96n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471806
PNG
(CHEMBL125951)
Show SMILES [#6]-c1cc2-[#6](-[#7])-[#6]S(=O)(=O)c2cc1-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C11H14N4O3S/c1-5-2-7-8(12)4-19(17,18)9(7)3-6(5)10(16)15-11(13)14/h2-3,8H,4,12H2,1H3,(H4,13,14,15,16)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471793
PNG
(CHEMBL121787)
Show SMILES [#6]-c1cc2c(cc1-[#6](=O)\[#7]=[#6](\[#7])-[#7])S(=O)(=O)[#6]-[#6]C21[#8]-[#6]-[#6]-[#8]1
Show InChI InChI=1S/C14H17N3O5S/c1-8-6-10-11(7-9(8)12(18)17-13(15)16)23(19,20)5-2-14(10)21-3-4-22-14/h6-7H,2-5H2,1H3,(H4,15,16,17,18)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471798
PNG
(CHEMBL122238)
Show SMILES [#6]C1([#6])[#6]C([#6])([#6])S(=O)(=O)c2cc(ccc12)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C15H21N3O3S/c1-14(2)8-15(3,4)22(20,21)11-7-9(5-6-10(11)14)12(19)18-13(16)17/h5-7H,8H2,1-4H3,(H4,16,17,18,19)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471824
PNG
(CHEMBL124987)
Show SMILES [#6]-[#8]-[#6]-1-[#6]S(=O)(=O)c2cc(ccc-12)-[#6](=O)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C11H13N3O4S/c1-18-8-5-19(16,17)9-4-6(2-3-7(8)9)10(15)14-11(12)13/h2-4,8H,5H2,1H3,(H4,12,13,14,15)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471822
PNG
(CHEMBL124826)
Show SMILES NC(=N)NC(=O)c1ccc2CCS(=O)(=O)c2c1
Show InChI InChI=1S/C10H11N3O3S/c11-10(12)13-9(14)7-2-1-6-3-4-17(15,16)8(6)5-7/h1-2,5H,3-4H2,(H4,11,12,13,14)
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Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471800
PNG
(CHEMBL333112)
Show SMILES NC(=N)NC(=O)c1ccc2C(O)CS(=O)(=O)c2c1
Show InChI InChI=1S/C10H11N3O4S/c11-10(12)13-9(15)5-1-2-6-7(14)4-18(16,17)8(6)3-5/h1-3,7,14H,4H2,(H4,11,12,13,15)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Oryctolagus cuniculus)
BDBM50471789
PNG
(CHEMBL419609)
Show SMILES [#6]C1([#6])[#6]-[#6]S(=O)(=O)c2cc(ccc12)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C13H17N3O3S/c1-13(2)5-6-20(18,19)10-7-8(3-4-9(10)13)11(17)16-12(14)15/h3-4,7H,5-6H2,1-2H3,(H4,14,15,16,17)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes


J Med Chem 41: 3736-47 (1998)


Article DOI: 10.1021/jm981031w
BindingDB Entry DOI: 10.7270/Q2BK1G33
More data for this
Ligand-Target Pair