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There are 27 purchasable compounds for target: Aldehyde dehydrogenase (ALDH2)

Wt: 254.2
BDBM23420
Purchase
Wt: 246.2
BDBM22841
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Wt: 237.2
BDBM22794
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Wt: 263.2
BDBM47902
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Wt: 265.3
BDBM47880
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Wt: 444.9
BDBM65735
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Wt: 224.2
BDBM50042986
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Wt: 375.2
BDBM50093530
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Wt: 368.3
BDBM50093533
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Wt: 282.2
BDBM50093538
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Wt: 238.2
BDBM50104891
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Wt: 276.7
BDBM50104895
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Wt: 238.2
BDBM50104902
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Wt: 271.6
BDBM50133625
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Wt: 284.2
BDBM50359990
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Displayed 1 to 15 (of 32 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 23420,22841,22794,47902,47880,65735,50042986,50093530,50093533,50093538,50104891,50104895,50104902,50133625,50359990   
Target
(Institution)
LigandTarget
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))
BDBM50359990
PNG
(PRUNETIN)
Show SMILES COc1cc(O)c2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
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PubMed
450n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ALDH2


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


(Homo sapiens (Human))
BDBM22794
PNG
(1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...)
Show SMILES O=C1N(Cc2ccccc2)c2ccccc2C1=O
Show InChI InChI=1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-9H,10H2
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PubMed
1.50E+4n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Competitive inhibition of human ALDH2 using propionaldehyde as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM22794
PNG
(1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...)
Show SMILES O=C1N(Cc2ccccc2)c2ccccc2C1=O
Show InChI InChI=1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-9H,10H2
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3.40E+4n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Noncompetitive/mixed type inhibition of human ALDH2 by Lineweaver-Burk plot analysis in presence of NAD+


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50093533
PNG
(7-(2-[1,3]Dioxan-2-yl-ethoxy)-3-(4-hydroxy-phenyl)...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(OCCC3OCCCO3)ccc2c1=O
Show InChI InChI=1S/C21H20O6/c22-15-4-2-14(3-5-15)18-13-27-19-12-16(6-7-17(19)21(18)23)24-11-8-20-25-9-1-10-26-20/h2-7,12-13,20,22H,1,8-11H2
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n/an/a 400n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Hamster Liver mitochondrial ALDH-2


J Med Chem 43: 4169-79 (2000)

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)

More data for this
Ligand-Target Pair
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)

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)

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)

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)

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)

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)

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


(Homo sapiens (Human))
BDBM22841
PNG
(1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-indole-2,3...)
Show SMILES O=C1N(CN2CCOCC2)c2ccccc2C1=O
Show InChI InChI=1S/C13H14N2O3/c16-12-10-3-1-2-4-11(10)15(13(12)17)9-14-5-7-18-8-6-14/h1-4H,5-9H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human ALDH2 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presence ...


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


(Homo sapiens (Human))
BDBM47902
PNG
(1-[(2E)-3-phenylprop-2-enyl]-1H-indole-2,3-dione |...)
Show SMILES O=C1N(C\C=C\c2ccccc2)c2ccccc2C1=O
Show InChI InChI=1S/C17H13NO2/c19-16-14-10-4-5-11-15(14)18(17(16)20)12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human ALDH2 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presence ...


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


(Homo sapiens (Human))
BDBM47880
PNG
(1-(3-phenylpropyl)indole-2,3-dione | 1-(3-phenylpr...)
Show SMILES O=C1N(CCCc2ccccc2)c2ccccc2C1=O
Show InChI InChI=1S/C17H15NO2/c19-16-14-10-4-5-11-15(14)18(17(16)20)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human ALDH2 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presence ...


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


(Homo sapiens (Human))
BDBM50133625
PNG
(1-Benzyl-5-chloro-1H-indole-2,3-dione | CHEMBL3366...)
Show SMILES Clc1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C15H10ClNO2/c16-11-6-7-13-12(8-11)14(18)15(19)17(13)9-10-4-2-1-3-5-10/h1-8H,9H2
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n/an/a 2.10E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human ALDH2 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presence ...


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


(Homo sapiens (Human))
BDBM22794
PNG
(1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...)
Show SMILES O=C1N(Cc2ccccc2)c2ccccc2C1=O
Show InChI InChI=1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-9H,10H2
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n/an/a 8.20E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human ALDH2 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presence ...


Citation and Details
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 40n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Hamster Liver mitochondrial ALDH-2


J Med Chem 43: 4169-79 (2000)

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


(Homo sapiens (Human))
BDBM65735
PNG
(7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methy...)
Show SMILES CCCCn1c(CN2CCN(CC2)c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C22H29ClN6O2/c1-4-5-9-29-18(24-20-19(29)21(30)26(3)22(31)25(20)2)15-27-10-12-28(13-11-27)17-8-6-7-16(23)14-17/h6-8,14H,4-5,9-13,15H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ALDH2 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis s...


Citation and Details
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 mitochondrial ALDH-2


J Med Chem 43: 4169-79 (2000)

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 mitochondrial ALDH-2


J Med Chem 43: 4169-79 (2000)

More data for this
Ligand-Target Pair