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PubMed code 11563929

Compile data set for download or QSAR
Found 33 hits of Enzyme Inhibition Constant Data   
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


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



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


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



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


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



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


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



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104844
PNG
(BMS-284640 | CHEMBL51879 | N-[(1R,3R)-3-(2,3-Dihyd...)
Show SMILES CC1(C)[C@@H]([C@H]1c1cccc2OCCc12)C(=O)NC(N)=N
Show InChI InChI=1S/C15H19N3O2/c1-15(2)11(12(15)13(19)18-14(16)17)9-4-3-5-10-8(9)6-7-20-10/h3-5,11-12H,6-7H2,1-2H3,(H4,16,17,18,19)/t11-,12+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


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



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


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



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


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



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104855
PNG
(CHEMBL109362 | N-[3-(4-Fluoro-3-methyl-phenyl)-2,2...)
Show SMILES Cc1cc(ccc1F)[C@@H]1[C@@H](C(=O)NC(N)=N)C1(C)C
Show InChI InChI=1S/C14H18FN3O/c1-7-6-8(4-5-9(7)15)10-11(14(10,2)3)12(19)18-13(16)17/h4-6,10-11H,1-3H3,(H4,16,17,18,19)/t10-,11+/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104853
PNG
(CHEMBL110578 | N-[2-(2,5-Dichloro-phenyl)-cyclopro...)
Show SMILES NC(=N)NC(=O)[C@H]1C[C@@H]1c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C11H11Cl2N3O/c12-5-1-2-9(13)7(3-5)6-4-8(6)10(17)16-11(14)15/h1-3,6,8H,4H2,(H4,14,15,16,17)/t6-,8+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104860
PNG
(CHEMBL113620 | N-(2,2-Dimethyl-3-phenyl-cyclopropa...)
Show SMILES CC1(C)[C@@H]([C@H]1c1ccccc1)C(=O)NC(N)=N
Show InChI InChI=1S/C13H17N3O/c1-13(2)9(8-6-4-3-5-7-8)10(13)11(17)16-12(14)15/h3-7,9-10H,1-2H3,(H4,14,15,16,17)/t9-,10+/m1/s1
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n/an/a 69n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104863
PNG
(CHEMBL112899 | N-[2-(3-Bromo-4-fluoro-phenyl)-cycl...)
Show SMILES NC(=N)NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(Br)c1
Show InChI InChI=1S/C11H11BrFN3O/c12-8-3-5(1-2-9(8)13)6-4-7(6)10(17)16-11(14)15/h1-3,6-7H,4H2,(H4,14,15,16,17)/t6-,7+/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104854
PNG
(CHEMBL114393 | N-[2-(2,3-Dihydro-benzofuran-4-yl)-...)
Show SMILES NC(=N)NC(=O)[C@H]1C[C@@H]1c1cccc2OCCc12
Show InChI InChI=1S/C13H15N3O2/c14-13(15)16-12(17)10-6-9(10)7-2-1-3-11-8(7)4-5-18-11/h1-3,9-10H,4-6H2,(H4,14,15,16,17)/t9-,10+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104861
PNG
(CHEMBL331141 | N-[2-(3-Chloro-phenyl)-cyclopropane...)
Show SMILES NC(=N)NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1
Show InChI InChI=1S/C11H12ClN3O/c12-7-3-1-2-6(4-7)8-5-9(8)10(16)15-11(13)14/h1-4,8-9H,5H2,(H4,13,14,15,16)/t8-,9+/m1/s1
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n/an/a 280n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
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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n/an/a 380n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104851
PNG
(CHEMBL114342 | N-[2-(3-Methoxy-phenyl)-cyclopropan...)
Show SMILES COc1cccc(c1)[C@H]1C[C@@H]1C(=O)NC(N)=N
Show InChI InChI=1S/C12H15N3O2/c1-17-8-4-2-3-7(5-8)9-6-10(9)11(16)15-12(13)14/h2-5,9-10H,6H2,1H3,(H4,13,14,15,16)/t9-,10+/m1/s1
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n/an/a 540n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104847
PNG
(CHEMBL112146 | N-[2-(2-Chloro-phenyl)-cyclopropane...)
Show SMILES NC(=N)NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl
Show InChI InChI=1S/C11H12ClN3O/c12-9-4-2-1-3-6(9)7-5-8(7)10(16)15-11(13)14/h1-4,7-8H,5H2,(H4,13,14,15,16)/t7-,8+/m1/s1
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n/an/a 980n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104858
PNG
(CHEMBL110029 | N-[2-(3-Nitro-phenyl)-cyclopropanec...)
Show SMILES NC(=N)NC(=O)[C@H]1C[C@@H]1c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C11H12N4O3/c12-11(13)14-10(16)9-5-8(9)6-2-1-3-7(4-6)15(17)18/h1-4,8-9H,5H2,(H4,12,13,14,16)/t8-,9+/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104845
PNG
(CHEMBL113369 | N-[2-(4-Fluoro-phenyl)-cyclopropane...)
Show SMILES NC(=N)NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1
Show InChI InChI=1S/C11H12FN3O/c12-7-3-1-6(2-4-7)8-5-9(8)10(16)15-11(13)14/h1-4,8-9H,5H2,(H4,13,14,15,16)/t8-,9+/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 2


(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 1.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound is screened in AP1 cells expressing human NHE-2 for sodium hydrogen exchange activity


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104859
PNG
(CHEMBL113462 | N-[2-(4-Chloro-phenyl)-cyclopropane...)
Show SMILES NC(=N)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C11H12ClN3O/c12-7-3-1-6(2-4-7)8-5-9(8)10(16)15-11(13)14/h1-4,8-9H,5H2,(H4,13,14,15,16)/t8-,9+/m1/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 5


(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 3.36E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound is screened in AP1 cells expressing human NHE-5 for sodium hydrogen exchange activity


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50058759
PNG
(CHEMBL436559 | CHEMBL462831 | Cariporide | N-(4-Is...)
Show SMILES CC(C)c1ccc(cc1S(C)(=O)=O)C(=O)NC(N)=N
Show InChI InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104849
PNG
(CHEMBL113201 | N-(2-Phenyl-cyclopropanecarbonyl)-g...)
Show SMILES NC(=N)NC(=O)[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C11H13N3O/c12-11(13)14-10(15)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H4,12,13,14,15)/t8-,9+/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 2


(Homo sapiens)
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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n/an/a 1.70E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound is screened in AP1 cells expressing human NHE-2 for sodium hydrogen exchange activity


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104857
PNG
(CHEMBL333603 | N-[2-(4-Nitro-phenyl)-cyclopropanec...)
Show SMILES NC(=N)NC(=O)[C@H]1C[C@@H]1c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C11H12N4O3/c12-11(13)14-10(16)9-5-8(9)6-1-3-7(4-2-6)15(17)18/h1-4,8-9H,5H2,(H4,12,13,14,16)/t8-,9+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Homo sapiens)
BDBM50058759
PNG
(CHEMBL436559 | CHEMBL462831 | Cariporide | N-(4-Is...)
Show SMILES CC(C)c1ccc(cc1S(C)(=O)=O)C(=O)NC(N)=N
Show InChI InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound is screened in AP1 cells expressing human NHE-3 for sodium hydrogen exchange activity


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(Homo sapiens)
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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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound is screened in AP1 cells expressing human NHE-3 for sodium hydrogen exchange activity


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50104850
PNG
(CHEMBL112867 | N-[2-(4-Isopropyl-phenyl)-cycloprop...)
Show SMILES CC(C)c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NC(N)=N
Show InChI InChI=1S/C14H19N3O/c1-8(2)9-3-5-10(6-4-9)11-7-12(11)13(18)17-14(15)16/h3-6,8,11-12H,7H2,1-2H3,(H4,15,16,17,18)/t11-,12+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 5


(Homo sapiens)
BDBM50058759
PNG
(CHEMBL436559 | CHEMBL462831 | Cariporide | N-(4-Is...)
Show SMILES CC(C)c1ccc(cc1S(C)(=O)=O)C(=O)NC(N)=N
Show InChI InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound is screened in AP1 cells expressing human NHE-5 for sodium hydrogen exchange activity


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 5


(Homo sapiens)
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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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound is screened in AP1 cells expressing human NHE-5 for sodium hydrogen exchange activity


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 3


(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>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound is screened in AP1 cells expressing human NHE-3 for sodium hydrogen exchange activity


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 2


(Homo sapiens)
BDBM50058759
PNG
(CHEMBL436559 | CHEMBL462831 | Cariporide | N-(4-Is...)
Show SMILES CC(C)c1ccc(cc1S(C)(=O)=O)C(=O)NC(N)=N
Show InChI InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16)
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n/an/a 6.20E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound is screened in AP1 cells expressing human NHE-2 for sodium hydrogen exchange activity


J Med Chem 44: 3302-10 (2001)


Article DOI: 10.1021/jm010100v
BindingDB Entry DOI: 10.7270/Q2H41QQ4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%