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PubMed code 11563931

Compile data set for download or QSAR
Found 42 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
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50093535
PNG
(11-(3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yloxy)u...)
Show SMILES OC(=O)CCCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C26H30O6/c27-20-12-10-19(11-13-20)23-18-32-24-17-21(14-15-22(24)26(23)30)31-16-8-6-4-2-1-3-5-7-9-25(28)29/h10-15,17-18,27H,1-9,16H2,(H,28,29)
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n/an/a 40n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104892
PNG
(8-(3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yloxy)oc...)
Show SMILES OC(=O)CCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C23H24O6/c24-17-9-7-16(8-10-17)20-15-29-21-14-18(11-12-19(21)23(20)27)28-13-5-3-1-2-4-6-22(25)26/h7-12,14-15,24H,1-6,13H2,(H,25,26)
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n/an/a 40n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104896
PNG
(7-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)-3-(4-hydro...)
Show SMILES OCCOCCOCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C21H22O7/c22-7-8-25-9-10-26-11-12-27-17-5-6-18-20(13-17)28-14-19(21(18)24)15-1-3-16(23)4-2-15/h1-6,13-14,22-23H,7-12H2
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n/an/a 40n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50093537
PNG
(10-(3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yloxy)d...)
Show SMILES OC(=O)CCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C25H28O6/c26-19-11-9-18(10-12-19)22-17-31-23-16-20(13-14-21(23)25(22)29)30-15-7-5-3-1-2-4-6-8-24(27)28/h9-14,16-17,26H,1-8,15H2,(H,27,28)
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n/an/a 50n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50093534
PNG
(7-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-...)
Show SMILES OC(=O)CCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C22H22O6/c23-16-8-6-15(7-9-16)19-14-28-20-13-17(10-11-18(20)22(19)26)27-12-4-2-1-3-5-21(24)25/h6-11,13-14,23H,1-5,12H2,(H,24,25)
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n/an/a 50n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50093531
PNG
(6-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-...)
Show SMILES OC(=O)CCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C21H20O6/c22-15-7-5-14(6-8-15)18-13-27-19-12-16(9-10-17(19)21(18)25)26-11-3-1-2-4-20(23)24/h5-10,12-13,22H,1-4,11H2,(H,23,24)
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n/an/a 60n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104880
PNG
(7-(2-Hydroxy-ethoxy)-3-(4-hydroxy-phenyl)-chromen-...)
Show SMILES OCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C17H14O5/c18-7-8-21-13-5-6-14-16(9-13)22-10-15(17(14)20)11-1-3-12(19)4-2-11/h1-6,9-10,18-19H,7-8H2
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n/an/a 70n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50409029
PNG
(DAIDZIN)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50093538
PNG
(3-(4-Hydroxyphenyl)-7-ethoxychromen-4-one | 7-Etho...)
Show SMILES CCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C17H14O4/c1-2-20-13-7-8-14-16(9-13)21-10-15(17(14)19)11-3-5-12(18)6-4-11/h3-10,18H,2H2,1H3
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n/an/a 80n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104874
PNG
(3-(4-Hydroxy-phenyl)-7-isopropoxy-chromen-4-one | ...)
Show SMILES CC(C)Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C18H16O4/c1-11(2)22-14-7-8-15-17(9-14)21-10-16(18(15)20)12-3-5-13(19)6-4-12/h3-11,19H,1-2H3
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n/an/a 80n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104878
PNG
(7-(6-Amino-hexyloxy)-3-(4-hydroxy-phenyl)-chromen-...)
Show SMILES NCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C21H23NO4/c22-11-3-1-2-4-12-25-17-9-10-18-20(13-17)26-14-19(21(18)24)15-5-7-16(23)8-6-15/h5-10,13-14,23H,1-4,11-12,22H2
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n/an/a 100n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104888
PNG
(5-(3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yloxy)pe...)
Show SMILES OC(=O)CCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C20H18O6/c21-14-6-4-13(5-7-14)17-12-26-18-11-15(8-9-16(18)20(17)24)25-10-2-1-3-19(22)23/h4-9,11-12,21H,1-3,10H2,(H,22,23)
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n/an/a 100n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104876
PNG
(7-(6-Hydroxy-hexyloxy)-3-(4-hydroxy-phenyl)-chrome...)
Show SMILES OCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C21H22O5/c22-11-3-1-2-4-12-25-17-9-10-18-20(13-17)26-14-19(21(18)24)15-5-7-16(23)8-6-15/h5-10,13-14,22-23H,1-4,11-12H2
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n/an/a 120n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104886
PNG
(12-(3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yloxy)d...)
Show SMILES OC(=O)CCCCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C27H32O6/c28-21-13-11-20(12-14-21)24-19-33-25-18-22(15-16-23(25)27(24)31)32-17-9-7-5-3-1-2-4-6-8-10-26(29)30/h11-16,18-19,28H,1-10,17H2,(H,29,30)
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n/an/a 130n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104884
PNG
(CHEMBL326803 | [3-(4-Hydroxy-phenyl)-4-oxo-4H-chro...)
Show SMILES CCOC(=O)COc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C19H16O6/c1-2-23-18(21)11-24-14-7-8-15-17(9-14)25-10-16(19(15)22)12-3-5-13(20)6-4-12/h3-10,20H,2,11H2,1H3
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n/an/a 130n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104889
PNG
(7-Hex-5-enyloxy-3-(4-hydroxy-phenyl)-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(OCCCCC=C)ccc2c1=O
Show InChI InChI=1S/C21H20O4/c1-2-3-4-5-12-24-17-10-11-18-20(13-17)25-14-19(21(18)23)15-6-8-16(22)9-7-15/h2,6-11,13-14,22H,1,3-5,12H2
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n/an/a 150n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104895
PNG
(7-Chloro-4-methyl-3-phenyl-4a,5,6,7,8,8a-hexahydro...)
Show SMILES CC1=C(C(=O)OC2CC(Cl)CCC12)c1ccccc1
Show InChI InChI=1S/C16H17ClO2/c1-10-13-8-7-12(17)9-14(13)19-16(18)15(10)11-5-3-2-4-6-11/h2-6,12-14H,7-9H2,1H3
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n/an/a 150n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50093536
PNG
(7-Allyloxy-3-(4-hydroxy-phenyl)-chromen-4-one | CH...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(OCC=C)ccc2c1=O
Show InChI InChI=1S/C18H14O4/c1-2-9-21-14-7-8-15-17(10-14)22-11-16(18(15)20)12-3-5-13(19)6-4-12/h2-8,10-11,19H,1,9H2
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n/an/a 180n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104894
PNG
(5-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-...)
Show SMILES CCOC(=O)CCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C22H22O6/c1-2-26-21(24)5-3-4-12-27-17-10-11-18-20(13-17)28-14-19(22(18)25)15-6-8-16(23)9-7-15/h6-11,13-14,23H,2-5,12H2,1H3
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n/an/a 240n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104877
PNG
(7-(4-Amino-butoxy)-3-(4-hydroxy-phenyl)-chromen-4-...)
Show SMILES NCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C19H19NO4/c20-9-1-2-10-23-15-7-8-16-18(11-15)24-12-17(19(16)22)13-3-5-14(21)6-4-13/h3-8,11-12,21H,1-2,9-10,20H2
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n/an/a 250n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50093530
PNG
(7-(3-Bromo-propoxy)-3-(4-hydroxy-phenyl)-chromen-4...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(OCCCBr)ccc2c1=O
Show InChI InChI=1S/C18H15BrO4/c19-8-1-9-22-14-6-7-15-17(10-14)23-11-16(18(15)21)12-2-4-13(20)5-3-12/h2-7,10-11,20H,1,8-9H2
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n/an/a 260n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50093529
PNG
(7-(4-Bromo-butoxy)-3-(4-hydroxy-phenyl)-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(OCCCCBr)ccc2c1=O
Show InChI InChI=1S/C19H17BrO4/c20-9-1-2-10-23-15-7-8-16-18(11-15)24-12-17(19(16)22)13-3-5-14(21)6-4-13/h3-8,11-12,21H,1-2,9-10H2
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n/an/a 270n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104875
PNG
(6-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-...)
Show SMILES CCOC(=O)CCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C23H24O6/c1-2-27-22(25)6-4-3-5-13-28-18-11-12-19-21(14-18)29-15-20(23(19)26)16-7-9-17(24)10-8-16/h7-12,14-15,24H,2-6,13H2,1H3
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n/an/a 280n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50093532
PNG
(7-(6-Bromo-hexyloxy)-3-(4-hydroxy-phenyl)-chromen-...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(OCCCCCCBr)ccc2c1=O
Show InChI InChI=1S/C21H21BrO4/c22-11-3-1-2-4-12-25-17-9-10-18-20(13-17)26-14-19(21(18)24)15-5-7-16(23)8-6-15/h5-10,13-14,23H,1-4,11-12H2
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n/an/a 300n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104890
PNG
(2-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-...)
Show SMILES CCOC(=O)C(C)Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C20H18O6/c1-3-24-20(23)12(2)26-15-8-9-16-18(10-15)25-11-17(19(16)22)13-4-6-14(21)7-5-13/h4-12,21H,3H2,1-2H3
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n/an/a 320n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104885
PNG
(7-(9-Hydroxy-nonyloxy)-3-(4-hydroxy-phenyl)-chrome...)
Show SMILES OCCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C24H28O5/c25-14-6-4-2-1-3-5-7-15-28-20-12-13-21-23(16-20)29-17-22(24(21)27)18-8-10-19(26)11-9-18/h8-13,16-17,25-26H,1-7,14-15H2
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n/an/a 700n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104899
PNG
(2-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-...)
Show SMILES CCCCC(Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O)C(O)=O
Show InChI InChI=1S/C21H20O6/c1-2-3-4-18(21(24)25)27-15-9-10-16-19(11-15)26-12-17(20(16)23)13-5-7-14(22)8-6-13/h5-12,18,22H,2-4H2,1H3,(H,24,25)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104879
PNG
(2-(3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yloxy)ac...)
Show SMILES OC(=O)COc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C17H12O6/c18-11-3-1-10(2-4-11)14-8-23-15-7-12(22-9-16(19)20)5-6-13(15)17(14)21/h1-8,18H,9H2,(H,19,20)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104891
PNG
(7-Hydroxy-4-phenyl-chromen-2-one | 7-hydroxy-4-phe...)
Show SMILES Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-11-6-7-12-13(10-4-2-1-3-5-10)9-15(17)18-14(12)8-11/h1-9,16H
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n/an/a 1.50E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104881
PNG
(7-(hexyloxy)-3-(4-hydroxyphenyl)-4H-chromen-4-one ...)
Show SMILES CCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C21H22O4/c1-2-3-4-5-12-24-17-10-11-18-20(13-17)25-14-19(21(18)23)15-6-8-16(22)9-7-15/h6-11,13-14,22H,2-5,12H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104902
PNG
(7-Methyl-4-phenyl-chroman-2-one | CHEMBL109925)
Show SMILES Cc1ccc2C(CC(=O)Oc2c1)c1ccccc1
Show InChI InChI=1S/C16H14O2/c1-11-7-8-13-14(12-5-3-2-4-6-12)10-16(17)18-15(13)9-11/h2-9,14H,10H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104882
PNG
(7-(12-Hydroxy-dodecyloxy)-3-(4-hydroxy-phenyl)-chr...)
Show SMILES OCCCCCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C27H34O5/c28-17-9-7-5-3-1-2-4-6-8-10-18-31-23-15-16-24-26(19-23)32-20-25(27(24)30)21-11-13-22(29)14-12-21/h11-16,19-20,28-29H,1-10,17-18H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104903
PNG
(2-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-...)
Show SMILES CCCCCCC(Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O)C(O)=O
Show InChI InChI=1S/C23H24O6/c1-2-3-4-5-6-20(23(26)27)29-17-11-12-18-21(13-17)28-14-19(22(18)25)15-7-9-16(24)10-8-15/h7-14,20,24H,2-6H2,1H3,(H,26,27)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104873
PNG
(2-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-...)
Show SMILES CC(Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O)C(O)=O
Show InChI InChI=1S/C18H14O6/c1-10(18(21)22)24-13-6-7-14-16(8-13)23-9-15(17(14)20)11-2-4-12(19)5-3-11/h2-10,19H,1H3,(H,21,22)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104901
PNG
(6-[2-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-...)
Show SMILES OC(=O)CCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C21H20O6/c22-15-7-5-14(6-8-15)19-13-18(23)17-10-9-16(12-20(17)27-19)26-11-3-1-2-4-21(24)25/h5-10,12-13,22H,1-4,11H2,(H,24,25)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104893
PNG
(2-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-...)
Show SMILES CCCCC(Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O)C(=O)OCC
Show InChI InChI=1S/C23H24O6/c1-3-5-6-20(23(26)27-4-2)29-17-11-12-18-21(13-17)28-14-19(22(18)25)15-7-9-16(24)10-8-15/h7-14,20,24H,3-6H2,1-2H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50409313
PNG
(ONONIN)
Show SMILES COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O
Show InChI InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1
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n/an/a>6.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50042986
PNG
((E)-1-(4-Hydroxy-phenyl)-3-phenyl-propenone | 1-(4...)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C15H12O2/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11,16H/b11-6+
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n/an/a 7.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104897
PNG
(2-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-...)
Show SMILES CCCCCCC(Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O)C(=O)OCC
Show InChI InChI=1S/C25H28O6/c1-3-5-6-7-8-22(25(28)29-4-2)31-19-13-14-20-23(15-19)30-16-21(24(20)27)17-9-11-18(26)12-10-17/h9-16,22,26H,3-8H2,1-2H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104898
PNG
(7-(dodecyloxy)-3-(4-hydroxyphenyl)-4H-chromen-4-on...)
Show SMILES CCCCCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C27H34O4/c1-2-3-4-5-6-7-8-9-10-11-18-30-23-16-17-24-26(19-23)31-20-25(27(24)29)21-12-14-22(28)15-13-21/h12-17,19-20,28H,2-11,18H2,1H3
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n/an/a>9.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM23420
PNG
(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
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n/an/a 9.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104900
PNG
(16-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]...)
Show SMILES OC(=O)CCCCCCCCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C31H40O6/c32-25-17-15-24(16-18-25)28-23-37-29-22-26(19-20-27(29)31(28)35)36-21-13-11-9-7-5-3-1-2-4-6-8-10-12-14-30(33)34/h15-20,22-23,32H,1-14,21H2,(H,33,34)
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PubMed
n/an/a>9.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%