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PubMed code 14684323

Compile data set for download or QSAR
Found 21 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)
BDBM50104856
PNG
(CHEMBL51363 | N-[(1R,3S)-3-(3,5-Dichloro-phenyl)-2...)
Show SMILES CC1(C)[C@@H]([C@H]1c1cc(Cl)cc(Cl)c1)C(=O)NC(N)=N
Show InChI InChI=1S/C13H15Cl2N3O/c1-13(2)9(10(13)11(19)18-12(16)17)6-3-7(14)5-8(15)4-6/h3-5,9-10H,1-2H3,(H4,16,17,18,19)/t9-,10+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2003.09.066
BindingDB Entry DOI: 10.7270/Q2NC60MN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


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



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2003.09.066
BindingDB Entry DOI: 10.7270/Q2NC60MN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


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



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2003.09.066
BindingDB Entry DOI: 10.7270/Q2NC60MN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


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



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2003.09.066
BindingDB Entry DOI: 10.7270/Q2NC60MN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50137560
PNG
(5-[(1R,3S)-3-(3-Chloro-phenyl)-2,2-dimethyl-cyclop...)
Show SMILES Cc1nc(N)[nH]c1[C@@H]1[C@@H](c2cccc(Cl)c2)C1(C)C
Show InChI InChI=1S/C15H18ClN3/c1-8-13(19-14(17)18-8)12-11(15(12,2)3)9-5-4-6-10(16)7-9/h4-7,11-12H,1-3H3,(H3,17,18,19)/t11-,12+/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2003.09.066
BindingDB Entry DOI: 10.7270/Q2NC60MN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50137557
PNG
(5-[(1R,3S)-3-(3,5-Dichloro-phenyl)-2,2-dimethyl-cy...)
Show SMILES CC1(C)[C@@H]([C@H]1c1cc(Cl)cc(Cl)c1)c1cnc(N)[nH]1
Show InChI InChI=1S/C14H15Cl2N3/c1-14(2)11(7-3-8(15)5-9(16)4-7)12(14)10-6-18-13(17)19-10/h3-6,11-12H,1-2H3,(H3,17,18,19)/t11-,12-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2003.09.066
BindingDB Entry DOI: 10.7270/Q2NC60MN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50137551
PNG
(5-[(1R,3S)-3-(3-Chloro-phenyl)-2,2-dimethyl-cyclop...)
Show SMILES CC1(C)[C@@H]([C@H]1c1cccc(Cl)c1)c1cnc(N)[nH]1
Show InChI InChI=1S/C14H16ClN3/c1-14(2)11(8-4-3-5-9(15)6-8)12(14)10-7-17-13(16)18-10/h3-7,11-12H,1-2H3,(H3,16,17,18)/t11-,12-/m1/s1
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n/an/a 750n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2003.09.066
BindingDB Entry DOI: 10.7270/Q2NC60MN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50137550
PNG
(5-[(1R,3S)-3-(3,5-Dichloro-phenyl)-2,2-dimethyl-cy...)
Show SMILES Cc1nc[nH]c1[C@@H]1[C@@H](c2cc(Cl)cc(Cl)c2)C1(C)C
Show InChI InChI=1S/C15H16Cl2N2/c1-8-14(19-7-18-8)13-12(15(13,2)3)9-4-10(16)6-11(17)5-9/h4-7,12-13H,1-3H3,(H,18,19)/t12-,13+/m1/s1
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n/an/a 950n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2003.09.066
BindingDB Entry DOI: 10.7270/Q2NC60MN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50137555
PNG
(5-[(1R,3R)-3-(2,3-Dihydro-benzofuran-4-yl)-2,2-dim...)
Show SMILES Cc1nc(N)[nH]c1[C@@H]1[C@@H](c2cccc3OCCc23)C1(C)C
Show InChI InChI=1S/C17H21N3O/c1-9-15(20-16(18)19-9)14-13(17(14,2)3)11-5-4-6-12-10(11)7-8-21-12/h4-6,13-14H,7-8H2,1-3H3,(H3,18,19,20)/t13-,14+/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2003.09.066
BindingDB Entry DOI: 10.7270/Q2NC60MN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50137545
PNG
(6-[(1R,3S)-3-(3,5-Dichloro-phenyl)-2,2-dimethyl-cy...)
Show SMILES CC1(C)[C@@H]([C@H]1c1cc(N)nc(N)n1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C15H16Cl2N4/c1-15(2)12(7-3-8(16)5-9(17)4-7)13(15)10-6-11(18)21-14(19)20-10/h3-6,12-13H,1-2H3,(H4,18,19,20,21)/t12-,13-/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2003.09.066
BindingDB Entry DOI: 10.7270/Q2NC60MN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50137556
PNG
(5-[(1R,3R)-3-(2,3-Dihydro-benzofuran-4-yl)-2,2-dim...)
Show SMILES CC1(C)[C@@H]([C@H]1c1cccc2OCCc12)c1cnc(N)[nH]1
Show InChI InChI=1S/C16H19N3O/c1-16(2)13(14(16)11-8-18-15(17)19-11)10-4-3-5-12-9(10)6-7-20-12/h3-5,8,13-14H,6-7H2,1-2H3,(H3,17,18,19)/t13-,14-/m1/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2003.09.066
BindingDB Entry DOI: 10.7270/Q2NC60MN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50137549
PNG
(5-[(1R,3S)-3-(3,5-Dichloro-phenyl)-2,2-dimethyl-cy...)
Show SMILES CC1(C)[C@@H]([C@H]1c1cc(Cl)cc(Cl)c1)c1cnc[nH]1
Show InChI InChI=1S/C14H14Cl2N2/c1-14(2)12(13(14)11-6-17-7-18-11)8-3-9(15)5-10(16)4-8/h3-7,12-13H,1-2H3,(H,17,18)/t12-,13-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2003.09.066
BindingDB Entry DOI: 10.7270/Q2NC60MN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50137548
PNG
(1-[(1R,3S)-3-(3-Chloro-phenyl)-2,2-dimethyl-cyclop...)
Show SMILES CSc1nccn1[C@@H]1[C@@H](c2cccc(Cl)c2)C1(C)C
Show InChI InChI=1S/C15H17ClN2S/c1-15(2)12(10-5-4-6-11(16)9-10)13(15)18-8-7-17-14(18)19-3/h4-9,12-13H,1-3H3/t12-,13-/m1/s1
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n/an/a 4.85E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2003.09.066
BindingDB Entry DOI: 10.7270/Q2NC60MN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50137554
PNG
(5-[(1R,3S)-3-(3-Chloro-phenyl)-2,2-dimethyl-cyclop...)
Show SMILES CC1(C)[C@@H]([C@H]1c1cccc(Cl)c1)c1cnc(N)s1
Show InChI InChI=1S/C14H15ClN2S/c1-14(2)11(8-4-3-5-9(15)6-8)12(14)10-7-17-13(16)18-10/h3-7,11-12H,1-2H3,(H2,16,17)/t11-,12-/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2003.09.066
BindingDB Entry DOI: 10.7270/Q2NC60MN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50137547
PNG
(1-[(1R,3S)-3-(2,3-Dihydro-benzofuran-4-yl)-2,2-dim...)
Show SMILES CSc1nccn1[C@@H]1[C@@H](c2cccc3OCCc23)C1(C)C
Show InChI InChI=1S/C17H20N2OS/c1-17(2)14(15(17)19-9-8-18-16(19)21-3)12-5-4-6-13-11(12)7-10-20-13/h4-6,8-9,14-15H,7,10H2,1-3H3/t14-,15-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2003.09.066
BindingDB Entry DOI: 10.7270/Q2NC60MN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50137558
PNG
(5-[(1R,3R)-3-(2,3-Dihydro-benzofuran-4-yl)-2,2-dim...)
Show SMILES Cc1nc[nH]c1[C@@H]1[C@@H](c2cccc3OCCc23)C1(C)C
Show InChI InChI=1S/C17H20N2O/c1-10-16(19-9-18-10)15-14(17(15,2)3)12-5-4-6-13-11(12)7-8-20-13/h4-6,9,14-15H,7-8H2,1-3H3,(H,18,19)/t14-,15+/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2003.09.066
BindingDB Entry DOI: 10.7270/Q2NC60MN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50137553
PNG
(5-[(1R,3R)-3-(2,3-Dihydro-benzofuran-4-yl)-2,2-dim...)
Show SMILES CC1(C)[C@@H]([C@H]1c1cccc2OCCc12)c1nc(N)no1
Show InChI InChI=1S/C15H17N3O2/c1-15(2)11(12(15)13-17-14(16)18-20-13)9-4-3-5-10-8(9)6-7-19-10/h3-5,11-12H,6-7H2,1-2H3,(H2,16,18)/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
Inhibition of sodium dependent recovery of pH following imposed acidosis in AP1 cell line expressing the human NHE-1 isoform.


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


Article DOI: 10.1016/j.bmcl.2003.09.066
BindingDB Entry DOI: 10.7270/Q2NC60MN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50137546
PNG
(5-[(1R,3R)-3-(2,3-Dihydro-benzofuran-4-yl)-2,2-dim...)
Show SMILES CC1(C)[C@@H]([C@H]1c1cccc2OCCc12)c1cnc(N)s1
Show InChI InChI=1S/C16H18N2OS/c1-16(2)13(14(16)12-8-18-15(17)20-12)10-4-3-5-11-9(10)6-7-19-11/h3-5,8,13-14H,6-7H2,1-2H3,(H2,17,18)/t13-,14-/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
Inhibition of sodium dependent recovery of pH following imposed acidosis in AP1 cell line expressing the human NHE-1 isoform.


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


Article DOI: 10.1016/j.bmcl.2003.09.066
BindingDB Entry DOI: 10.7270/Q2NC60MN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50137544
PNG
(1-[(1R,3S)-3-(3,5-Dichloro-phenyl)-2,2-dimethyl-cy...)
Show SMILES CC1(C)[C@@H]([C@H]1n1ccc(N)n1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H15Cl2N3/c1-14(2)12(8-5-9(15)7-10(16)6-8)13(14)19-4-3-11(17)18-19/h3-7,12-13H,1-2H3,(H2,17,18)/t12-,13-/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
Inhibition of sodium dependent recovery of pH following imposed acidosis in AP1 cell line expressing the human NHE-1 isoform.


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


Article DOI: 10.1016/j.bmcl.2003.09.066
BindingDB Entry DOI: 10.7270/Q2NC60MN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50137543
PNG
(5-[(1R,3R)-3-(2,3-Dihydro-benzofuran-4-yl)-2,2-dim...)
Show SMILES CC1(C)[C@@H]([C@H]1c1cccc2OCCc12)c1cnc[nH]1
Show InChI InChI=1S/C16H18N2O/c1-16(2)14(15(16)12-8-17-9-18-12)11-4-3-5-13-10(11)6-7-19-13/h3-5,8-9,14-15H,6-7H2,1-2H3,(H,17,18)/t14-,15-/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
Inhibition of sodium dependent recovery of pH following imposed acidosis in AP1 cell line expressing the human NHE-1 isoform.


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


Article DOI: 10.1016/j.bmcl.2003.09.066
BindingDB Entry DOI: 10.7270/Q2NC60MN
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50137559
PNG
(5-[(1R,3S)-3-(3,5-Dichloro-phenyl)-2,2-dimethyl-cy...)
Show SMILES CC1(C)[C@@H]([C@H]1c1cc(Cl)cc(Cl)c1)c1cnc(N)s1
Show InChI InChI=1S/C14H14Cl2N2S/c1-14(2)11(7-3-8(15)5-9(16)4-7)12(14)10-6-18-13(17)19-10/h3-6,11-12H,1-2H3,(H2,17,18)/t11-,12-/m1/s1
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2003.09.066
BindingDB Entry DOI: 10.7270/Q2NC60MN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%