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Found 159 hits Enz. Inhib. hit(s) with Target = 'Aldehyde dehydrogenase (ALDH2)'   
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
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118193
PNG
(US8673966, N-(4-(7-(cyclopropylethynyl)-4-oxo-4H- ...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CC1
Show InChI InChI=1S/C21H17NO4S/c1-27(24,25)22-17-9-7-16(8-10-17)19-13-26-20-12-15(5-4-14-2-3-14)6-11-18(20)21(19)23/h6-14,22H,2-3H2,1H3
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n/an/a 57.7n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118194
PNG
(US8673966, N-(4-(4-oxo-7-(phenylethynyl)-4H-chrome...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1ccccc1
Show InChI InChI=1S/C24H17NO4S/c1-30(27,28)25-20-12-10-19(11-13-20)22-16-29-23-15-18(9-14-21(23)24(22)26)8-7-17-5-3-2-4-6-17/h2-6,9-16,25H,1H3
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n/an/a 329n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM153697
PNG
(US9000015, 14 | US9610299, Example 14)
Show SMILES OP(O)(=O)OCn1ccc(cc1=O)-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C20H17Cl2N2O6P/c21-16-2-1-3-17(22)19(16)20(26)23-11-13-4-6-14(7-5-13)15-8-9-24(18(25)10-15)12-30-31(27,28)29/h1-10H,11-12H2,(H,23,26)(H2,27,28,29)
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n/an/a>1.00E+4n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US9000015 (2015)


BindingDB Entry DOI: 10.7270/Q28S4NNX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM153696
PNG
(US9000015, 13 | US9610299, Example 13)
Show SMILES Fc1c[nH]c(=O)cc1-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C19H13Cl2FN2O2/c20-14-2-1-3-15(21)18(14)19(26)24-9-11-4-6-12(7-5-11)13-8-17(25)23-10-16(13)22/h1-8,10H,9H2,(H,23,25)(H,24,26)
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n/an/a 25n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US9000015 (2015)


BindingDB Entry DOI: 10.7270/Q28S4NNX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM153695
PNG
(US9000015, 12 | US9610299, Example 12)
Show SMILES Fc1cc(ccc1CNC(=O)c1c(Cl)cccc1Cl)-c1cc[nH]c(=O)c1
Show InChI InChI=1S/C19H13Cl2FN2O2/c20-14-2-1-3-15(21)18(14)19(26)24-10-13-5-4-11(8-16(13)22)12-6-7-23-17(25)9-12/h1-9H,10H2,(H,23,25)(H,24,26)
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n/an/a 304n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US9000015 (2015)


BindingDB Entry DOI: 10.7270/Q28S4NNX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM153694
PNG
(US9000015, 11 | US9610299, Example 11)
Show SMILES Fc1cccc(Cl)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1
Show InChI InChI=1S/C19H14ClFN2O2/c20-15-2-1-3-16(21)18(15)19(25)23-11-12-4-6-13(7-5-12)14-8-9-22-17(24)10-14/h1-10H,11H2,(H,22,24)(H,23,25)
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n/an/a 379n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US9000015 (2015)


BindingDB Entry DOI: 10.7270/Q28S4NNX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM153693
PNG
(US9000015, 10 | US9610299, Example 10)
Show SMILES Fc1cccc(F)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1
Show InChI InChI=1S/C19H14F2N2O2/c20-15-2-1-3-16(21)18(15)19(25)23-11-12-4-6-13(7-5-12)14-8-9-22-17(24)10-14/h1-10H,11H2,(H,22,24)(H,23,25)
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n/an/a 890n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US9000015 (2015)


BindingDB Entry DOI: 10.7270/Q28S4NNX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM153692
PNG
(US9000015, 9 | US9610299, Example 9)
Show SMILES Cn1ccc(cc1=O)-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C20H16Cl2N2O2/c1-24-10-9-15(11-18(24)25)14-7-5-13(6-8-14)12-23-20(26)19-16(21)3-2-4-17(19)22/h2-11H,12H2,1H3,(H,23,26)
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n/an/a 2.09E+3n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US9000015 (2015)


BindingDB Entry DOI: 10.7270/Q28S4NNX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM153691
PNG
(US9000015, 8 | US9610299, Example 8)
Show SMILES Cc1cc(CNC(=O)c2c(Cl)cccc2Cl)ccc1-c1cc[nH]c(=O)c1
Show InChI InChI=1S/C20H16Cl2N2O2/c1-12-9-13(5-6-15(12)14-7-8-23-18(25)10-14)11-24-20(26)19-16(21)3-2-4-17(19)22/h2-10H,11H2,1H3,(H,23,25)(H,24,26)
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n/an/a 480n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US9000015 (2015)


BindingDB Entry DOI: 10.7270/Q28S4NNX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM153690
PNG
(US9000015, 7 | US9610299, Example 7)
Show SMILES Fc1ccc(F)c(C(=O)NCc2ccc(cc2)-c2cc[nH]c(=O)c2)c1Cl
Show InChI InChI=1S/C19H13ClF2N2O2/c20-18-15(22)6-5-14(21)17(18)19(26)24-10-11-1-3-12(4-2-11)13-7-8-23-16(25)9-13/h1-9H,10H2,(H,23,25)(H,24,26)
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n/an/a 464n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US9000015 (2015)


BindingDB Entry DOI: 10.7270/Q28S4NNX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118195
PNG
(US8673966, N-(4-(7-(3-hydroxy-3-methylbut-1-ynyl)-...)
Show SMILES CC(C)(O)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C21H19NO5S/c1-21(2,24)11-10-14-4-9-17-19(12-14)27-13-18(20(17)23)15-5-7-16(8-6-15)22-28(3,25)26/h4-9,12-13,22,24H,1-3H3
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n/an/a 2.18E+3n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118196
PNG
(US8673966, N-(4-(7-((1-methyl-1H-imidazol-5-yl)eth...)
Show SMILES Cn1cncc1C#Cc1ccc2c(c1)occ(-c1ccc(CNS(=O)=O)cc1)c2=O
Show InChI InChI=1S/C22H17N3O4S/c1-25-14-23-12-18(25)8-4-15-5-9-19-21(10-15)29-13-20(22(19)26)17-6-2-16(3-7-17)11-24-30(27)28/h2-3,5-7,9-10,12-14,30H,11H2,1H3,(H,24,27,28)
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n/an/a<4.90n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118197
PNG
(US8673966, N-(4-(7-(3-methoxyprop-1-ynyl)-4-oxo-4H...)
Show SMILES COCC#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C20H17NO5S/c1-25-11-3-4-14-5-10-17-19(12-14)26-13-18(20(17)22)15-6-8-16(9-7-15)21-27(2,23)24/h5-10,12-13,21H,11H2,1-2H3
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n/an/a 47n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118198
PNG
(US8673966, N-(4-(7-((1-hydroxycyclohexyl)ethynyl)-...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1(O)CCCCC1
Show InChI InChI=1S/C24H23NO5S/c1-31(28,29)25-19-8-6-18(7-9-19)21-16-30-22-15-17(5-10-20(22)23(21)26)11-14-24(27)12-3-2-4-13-24/h5-10,15-16,25,27H,2-4,12-13H2,1H3
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n/an/a 1.71E+3n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118199
PNG
(US8673966, N-(4-(7-((1-aminocyclohexyl)ethynyl)-4-...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1(N)CCCCC1
Show InChI InChI=1S/C24H24N2O4S/c1-31(28,29)26-19-8-6-18(7-9-19)21-16-30-22-15-17(5-10-20(22)23(21)27)11-14-24(25)12-3-2-4-13-24/h5-10,15-16,26H,2-4,12-13,25H2,1H3
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n/an/a 528n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118200
PNG
(US8673966, N-(4-(4-oxo-7-(pyridin-2-ylethynyl)-4H-...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1ccccn1
Show InChI InChI=1S/C23H16N2O4S/c1-30(27,28)25-19-10-7-17(8-11-19)21-15-29-22-14-16(6-12-20(22)23(21)26)5-9-18-4-2-3-13-24-18/h2-4,6-8,10-15,25H,1H3
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n/an/a 90n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118201
PNG
(US8673966, N-(4-(7-((1-hydroxycyclopentyl)ethynyl)...)
Show SMILES OC1(CCCC1)C#Cc1ccc2c(c1)occ(-c1ccc(CNS(=O)=O)cc1)c2=O
Show InChI InChI=1S/C23H21NO5S/c25-22-19-8-5-16(9-12-23(26)10-1-2-11-23)13-21(19)29-15-20(22)18-6-3-17(4-7-18)14-24-30(27)28/h3-8,13,15,26,30H,1-2,10-11,14H2,(H,24,27,28)
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n/an/a 386n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118202
PNG
(US8673966, N-(4-(4-oxo-7-(pyrimidin-5-ylethynyl)-4...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1cncnc1
Show InChI InChI=1S/C22H15N3O4S/c1-30(27,28)25-18-7-5-17(6-8-18)20-13-29-21-10-15(4-9-19(21)22(20)26)2-3-16-11-23-14-24-12-16/h4-14,25H,1H3
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n/an/a 57n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118203
PNG
(US8673966, N-(4-(4-oxo-7-(pyridin-3-ylethynyl)-4H-...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1cccnc1
Show InChI InChI=1S/C23H16N2O4S/c1-30(27,28)25-19-9-7-18(8-10-19)21-15-29-22-13-16(6-11-20(22)23(21)26)4-5-17-3-2-12-24-14-17/h2-3,6-15,25H,1H3
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n/an/a 21n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118204
PNG
(US8673966, N-(4-(7-(3-methoxyprop-1-ynyl)-4-oxo-4H...)
Show SMILES COCC#Cc1ccc2c(c1)occ(-c1ccc(NS(=O)(=O)C3CC3)cc1)c2=O
Show InChI InChI=1S/C22H19NO5S/c1-27-12-2-3-15-4-11-19-21(13-15)28-14-20(22(19)24)16-5-7-17(8-6-16)23-29(25,26)18-9-10-18/h4-8,11,13-14,18,23H,9-10,12H2,1H3
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n/an/a 96n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118205
PNG
(US8673966, N-(4-(7-((1-hydroxycyclopentyl)ethynyl)...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1(O)CCCC1
Show InChI InChI=1S/C23H21NO5S/c1-30(27,28)24-18-7-5-17(6-8-18)20-15-29-21-14-16(4-9-19(21)22(20)25)10-13-23(26)11-2-3-12-23/h4-9,14-15,24,26H,2-3,11-12H2,1H3
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n/an/a 156n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118206
PNG
(US8673966, tert-butyl 4-((3-(4-(methylsulfonamido)...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C28H30N2O6S/c1-28(2,3)36-27(32)30-15-13-19(14-16-30)5-6-20-7-12-23-25(17-20)35-18-24(26(23)31)21-8-10-22(11-9-21)29-37(4,33)34/h7-12,17-19,29H,13-16H2,1-4H3
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n/an/a 86n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118207
PNG
(US8673966, tert-butyl 3-((3-(4-(methylsulfonamido)...)
Show SMILES CC(C)(C)OC(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C26H26N2O6S/c1-26(2,3)34-25(30)28-14-18(15-28)6-5-17-7-12-21-23(13-17)33-16-22(24(21)29)19-8-10-20(11-9-19)27-35(4,31)32/h7-13,16,18,27H,14-15H2,1-4H3
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n/an/a 9n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118208
PNG
(US8673966, N-(4-(4-oxo-7-((2-oxo-1,2-dihydropyridi...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1cc[nH]c(=O)c1
Show InChI InChI=1S/C23H16N2O5S/c1-31(28,29)25-18-7-5-17(6-8-18)20-14-30-21-12-15(4-9-19(21)23(20)27)2-3-16-10-11-24-22(26)13-16/h4-14,25H,1H3,(H,24,26)
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n/an/a 9n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118209
PNG
(US8673966, N-(4-(7-((1-(cyclopropanecarbonyl)azeti...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)C1CC1
Show InChI InChI=1S/C25H22N2O5S/c1-33(30,31)26-20-9-7-18(8-10-20)22-15-32-23-12-16(4-11-21(23)24(22)28)2-3-17-13-27(14-17)25(29)19-5-6-19/h4,7-12,15,17,19,26H,5-6,13-14H2,1H3
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n/an/a 5n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118210
PNG
(US8673966, N-(4-(4-oxo-7-(piperidin-4-ylethynyl)-4...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CCNCC1
Show InChI InChI=1S/C23H22N2O4S/c1-30(27,28)25-19-7-5-18(6-8-19)21-15-29-22-14-17(4-9-20(22)23(21)26)3-2-16-10-12-24-13-11-16/h4-9,14-16,24-25H,10-13H2,1H3
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n/an/a 174n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118211
PNG
(US8673966, N-(4-(7-((1-(cyclopropanecarbonyl)piper...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C27H26N2O5S/c1-35(32,33)28-22-9-7-20(8-10-22)24-17-34-25-16-19(4-11-23(25)26(24)30)3-2-18-12-14-29(15-13-18)27(31)21-5-6-21/h4,7-11,16-18,21,28H,5-6,12-15H2,1H3
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n/an/a 6.5n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118212
PNG
(US8673966, N-(4-(7-((1,2-dimethyl-1H-imidazol-5- y...)
Show SMILES Cc1ncc(C#Cc2ccc3c(c2)occ(-c2ccc(NS(C)(=O)=O)cc2)c3=O)n1C
Show InChI InChI=1S/C23H19N3O4S/c1-15-24-13-19(26(15)2)10-4-16-5-11-20-22(12-16)30-14-21(23(20)27)17-6-8-18(9-7-17)25-31(3,28)29/h5-9,11-14,25H,1-3H3
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n/an/a 15n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118213
PNG
(US8673966, N-(4-(7-((1-isopropyl-1H-imidazol-5- yl...)
Show SMILES CC(C)n1cncc1C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C24H21N3O4S/c1-16(2)27-15-25-13-20(27)10-4-17-5-11-21-23(12-17)31-14-22(24(21)28)18-6-8-19(9-7-18)26-32(3,29)30/h5-9,11-16,26H,1-3H3
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n/an/a 7n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118214
PNG
(US8673966, N-(4-(7-((1-methyl-1H-imidazol-4-yl)eth...)
Show SMILES Cn1cnc(c1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C22H17N3O4S/c1-25-12-18(23-14-25)7-3-15-4-10-19-21(11-15)29-13-20(22(19)26)16-5-8-17(9-6-16)24-30(2,27)28/h4-6,8-14,24H,1-2H3
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n/an/a 95n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118215
PNG
(US8673966, N-(4-(7-(azetidin-3-ylethynyl)-4-oxo-4H...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CNC1
Show InChI InChI=1S/C21H18N2O4S/c1-28(25,26)23-17-7-5-16(6-8-17)19-13-27-20-10-14(2-3-15-11-22-12-15)4-9-18(20)21(19)24/h4-10,13,15,22-23H,11-12H2,1H3
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n/an/a 266n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118216
PNG
(US8673966, cyclopentyl 3-((3-(4- (methylsulfonamid...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)OC1CCCC1
Show InChI InChI=1S/C27H26N2O6S/c1-36(32,33)28-21-11-9-20(10-12-21)24-17-34-25-14-18(8-13-23(25)26(24)30)6-7-19-15-29(16-19)27(31)35-22-4-2-3-5-22/h8-14,17,19,22,28H,2-5,15-16H2,1H3
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n/an/a 9n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118217
PNG
(US8673966, N-(4-(4-oxo-7-((tetrahydro-2H-pyran-4- ...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CCOCC1
Show InChI InChI=1S/C23H21NO5S/c1-30(26,27)24-19-7-5-18(6-8-19)21-15-29-22-14-17(4-9-20(22)23(21)25)3-2-16-10-12-28-13-11-16/h4-9,14-16,24H,10-13H2,1H3
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n/an/a 43n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118218
PNG
(US8673966, N-(4-(7-((1-isobutylazetidin-3-yl)ethyn...)
Show SMILES CC(C)CN1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(CNS(=O)=O)cc1)c2=O
Show InChI InChI=1S/C25H26N2O4S/c1-17(2)13-27-14-20(15-27)4-3-18-7-10-22-24(11-18)31-16-23(25(22)28)21-8-5-19(6-9-21)12-26-32(29)30/h5-11,16-17,20,32H,12-15H2,1-2H3,(H,26,29,30)
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n/an/a 109n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118219
PNG
(US8673966, N-(4-(7-((1-(3-methoxypropanoyl)azetidi...)
Show SMILES COCCC(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C25H24N2O6S/c1-32-12-11-24(28)27-14-18(15-27)4-3-17-5-10-21-23(13-17)33-16-22(25(21)29)19-6-8-20(9-7-19)26-34(2,30)31/h5-10,13,16,18,26H,11-12,14-15H2,1-2H3
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n/an/a 8n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118220
PNG
(US8673966, N-(4-(7-((1-(3,3-difluorocyclobutanecar...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)C1CC(F)(F)C1
Show InChI InChI=1S/C26H22F2N2O5S/c1-36(33,34)29-20-7-5-18(6-8-20)22-15-35-23-10-16(4-9-21(23)24(22)31)2-3-17-13-30(14-17)25(32)19-11-26(27,28)12-19/h4-10,15,17,19,29H,11-14H2,1H3
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n/an/a 6n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118221
PNG
(US8673966, N-(4-(7-((1-(3-(dimethylamino)propanoyl...)
Show SMILES CN(C)CCC(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C26H27N3O5S/c1-28(2)13-12-25(30)29-15-19(16-29)5-4-18-6-11-22-24(14-18)34-17-23(26(22)31)20-7-9-21(10-8-20)27-35(3,32)33/h6-11,14,17,19,27H,12-13,15-16H2,1-3H3
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n/an/a 64n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118222
PNG
(US8673966, N-(4-(7-((1-(2-hydroxyacetyl)azetidin-3...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)CO
Show InChI InChI=1S/C23H20N2O6S/c1-32(29,30)24-18-7-5-17(6-8-18)20-14-31-21-10-15(4-9-19(21)23(20)28)2-3-16-11-25(12-16)22(27)13-26/h4-10,14,16,24,26H,11-13H2,1H3
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n/an/a 15n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118223
PNG
(US8673966, N-(4-(7-((1-(3-hydroxy-3-methylcyclobut...)
Show SMILES CC1(O)CC(C1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C27H26N2O6S/c1-27(32)12-20(13-27)26(31)29-14-18(15-29)4-3-17-5-10-22-24(11-17)35-16-23(25(22)30)19-6-8-21(9-7-19)28-36(2,33)34/h5-11,16,18,20,28,32H,12-15H2,1-2H3
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n/an/a 5n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118224
PNG
(US8673966, N-(4-(7-((1-(2-hydroxy-2-methylpropanoy...)
Show SMILES CC(C)(O)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C25H24N2O6S/c1-25(2,30)24(29)27-13-17(14-27)5-4-16-6-11-20-22(12-16)33-15-21(23(20)28)18-7-9-19(10-8-18)26-34(3,31)32/h6-12,15,17,26,30H,13-14H2,1-3H3
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n/an/a 16n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118225
PNG
(US8673966, N-(4-(7-((1-(3-methyloxetane-3- carbony...)
Show SMILES CC1(COC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C26H24N2O6S/c1-26(15-33-16-26)25(30)28-12-18(13-28)4-3-17-5-10-21-23(11-17)34-14-22(24(21)29)19-6-8-20(9-7-19)27-35(2,31)32/h5-11,14,18,27H,12-13,15-16H2,1-2H3
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n/an/a 6n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118226
PNG
(US8673966, N-(4-(7-((1-(2-hydroxypropanoyl)azetidi...)
Show SMILES CC(O)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C24H22N2O6S/c1-15(27)24(29)26-12-17(13-26)4-3-16-5-10-20-22(11-16)32-14-21(23(20)28)18-6-8-19(9-7-18)25-33(2,30)31/h5-11,14-15,17,25,27H,12-13H2,1-2H3
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n/an/a 15n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118227
PNG
(US8673966, N-(4-(7-((1-(1-methylpiperidine-4- carb...)
Show SMILES CN1CCC(CC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C28H29N3O5S/c1-30-13-11-22(12-14-30)28(33)31-16-20(17-31)4-3-19-5-10-24-26(15-19)36-18-25(27(24)32)21-6-8-23(9-7-21)29-37(2,34)35/h5-10,15,18,20,22,29H,11-14,16-17H2,1-2H3
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n/an/a 35n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118228
PNG
(US8673966, N-(4-(7-((1-(2,2-difluorocyclopropane- ...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)C1CC1(F)F
Show InChI InChI=1S/C25H20F2N2O5S/c1-35(32,33)28-18-7-5-17(6-8-18)20-14-34-22-10-15(4-9-19(22)23(20)30)2-3-16-12-29(13-16)24(31)21-11-25(21,26)27/h4-10,14,16,21,28H,11-13H2,1H3
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n/an/a 5n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118229
PNG
(US8673966, N-(4-(7-((1-(cyclobutanecarbonyl)azetid...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)C1CCC1
Show InChI InChI=1S/C26H24N2O5S/c1-34(31,32)27-21-10-8-19(9-11-21)23-16-33-24-13-17(7-12-22(24)25(23)29)5-6-18-14-28(15-18)26(30)20-3-2-4-20/h7-13,16,18,20,27H,2-4,14-15H2,1H3
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n/an/a 4n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118230
PNG
(US8673966, N-(4-(7-((1-(1-methylcyclopropanecarbon...)
Show SMILES CC1(CC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C26H24N2O5S/c1-26(11-12-26)25(30)28-14-18(15-28)4-3-17-5-10-21-23(13-17)33-16-22(24(21)29)19-6-8-20(9-7-19)27-34(2,31)32/h5-10,13,16,18,27H,11-12,14-15H2,1-2H3
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n/an/a 6n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118231
PNG
(US8673966, tert-butyl 1-(3-((3-(4-(methylsulfonami...)
Show SMILES CC(C)(C)OC(=O)NC1(CCC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C31H33N3O7S/c1-30(2,3)41-29(37)32-31(14-5-15-31)28(36)34-17-21(18-34)7-6-20-8-13-24-26(16-20)40-19-25(27(24)35)22-9-11-23(12-10-22)33-42(4,38)39/h8-13,16,19,21,33H,5,14-15,17-18H2,1-4H3,(H,32,37)
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n/an/a 6n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118232
PNG
(US8673966, tert-butyl 1-(3-((3-(4- (methylsulfonam...)
Show SMILES CC(C)(C)OC(=O)NC1(CC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C30H31N3O7S/c1-29(2,3)40-28(36)31-30(13-14-30)27(35)33-16-20(17-33)6-5-19-7-12-23-25(15-19)39-18-24(26(23)34)21-8-10-22(11-9-21)32-41(4,37)38/h7-12,15,18,20,32H,13-14,16-17H2,1-4H3,(H,31,36)
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n/an/a 5n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118233
PNG
(US8673966, tert-butyl (1-(3-((3-(4-(methylsulfonam...)
Show SMILES CN(C(=O)OC(C)(C)C)C1(CC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C31H33N3O7S/c1-30(2,3)41-29(37)33(4)31(14-15-31)28(36)34-17-21(18-34)7-6-20-8-13-24-26(16-20)40-19-25(27(24)35)22-9-11-23(12-10-22)32-42(5,38)39/h8-13,16,19,21,32H,14-15,17-18H2,1-5H3
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n/an/a 2.30n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM153684
PNG
(US9000015, 1 | US9610299, Example 1)
Show SMILES COCCOc1cc(Cl)c(C(=O)NCc2ccc(cc2)-c2cc[nH]c(=O)c2)c(Cl)c1
Show InChI InChI=1S/C22H20Cl2N2O4/c1-29-8-9-30-17-11-18(23)21(19(24)12-17)22(28)26-13-14-2-4-15(5-3-14)16-6-7-25-20(27)10-16/h2-7,10-12H,8-9,13H2,1H3,(H,25,27)(H,26,28)
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n/an/a 63n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US9000015 (2015)


BindingDB Entry DOI: 10.7270/Q28S4NNX
More data for this
Ligand-Target Pair
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