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Found 14 hits of Enz. Inhib. data with enzyme = 'Aldehyde dehydrogenase (ALDH2)' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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US Patent
n/an/a 23n/an/an/an/an/an/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 US9610299 (2017)

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/an/an/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 US9610299 (2017)

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/an/an/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 US9610299 (2017)

More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM153685
PNG
(US9000015, 2 | US9610299, Example 2)
Show SMILES Clc1cccc(Cl)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1
Show InChI InChI=1S/C19H14Cl2N2O2/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 102n/an/an/an/an/an/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 US9610299 (2017)

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 166n/an/an/an/an/an/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 US9610299 (2017)

More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM153686
PNG
(US9000015, 3 | US9610299, Example 3)
Show SMILES Fc1cccc(C(=O)NCc2ccc(cc2)-c2cc[nH]c(=O)c2)c1Cl
Show InChI InChI=1S/C19H14ClFN2O2/c20-18-15(2-1-3-16(18)21)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 215n/an/an/an/an/an/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 US9610299 (2017)

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/an/an/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 US9610299 (2017)

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/an/an/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 US9610299 (2017)

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/an/an/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 US9610299 (2017)

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/an/an/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 US9610299 (2017)

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/an/an/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 US9610299 (2017)

More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM314091
PNG
(2,6-dimethyl-N-(4-(2-oxopiperidin-4-yl)benzyl)benz...)
Show SMILES Cc1cccc(C)c1C(=O)NCc1ccc(cc1)C1CCNC(=O)C1
Show InChI InChI=1S/C21H24N2O2/c1-14-4-3-5-15(2)20(14)21(25)23-13-16-6-8-17(9-7-16)18-10-11-22-19(24)12-18/h3-9,18H,10-13H2,1-2H3,(H,22,24)(H,23,25)
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n/an/a 1.11E+3n/an/an/an/an/an/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 US9610299 (2017)

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/an/an/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 US9610299 (2017)

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/an/an/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 US9610299 (2017)

More data for this
Ligand-Target Pair