Found 876 hits Enz. Inhib. hit(s) with Target = 'Aldehyde dehydrogenase' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Retinal dehydrogenase 2
(Gallus gallus) | BDBM50466622
 (CHEMBL4286209)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)C(Cl)Cl Show InChI InChI=1S/C21H28Cl2O/c1-15(8-6-9-16(2)14-19(24)20(22)23)11-12-18-17(3)10-7-13-21(18,4)5/h6,8-9,11-12,14,20H,7,10,13H2,1-5H3/b9-6+,12-11+,15-8+,16-14+ | UniProtKB/SwissProt
GoogleScholar
| PC cid PC sid UniChem
| Article PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oklahoma Health Sciences Center
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged recombinant chick RALDH2 expressed in Escherichia coli BL21(DE3) cells using RAL as substrate measured after 30 ... |
Bioorg Med Chem 26: 5766-5779 (2018)
Article DOI: 10.1016/j.bmc.2018.10.009 BindingDB Entry DOI: 10.7270/Q2FB55M4 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase 1A1 (ALDH1A1)
(Homo sapiens (Human)) | BDBM50456223
 (CHEMBL4206892)Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC(CC1)(C#N)c1ccccc1 Show InChI InChI=1S/C27H28FN5O3S/c1-37(35,36)33-15-13-32(14-16-33)26(34)23-18-30-24-8-7-21(28)17-22(24)25(23)31-11-9-27(19-29,10-12-31)20-5-3-2-4-6-20/h2-8,17-18H,9-16H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
| Article PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description Inhibition of human ALDH1A1 using propionaldehyde as substrate and varied concentration of NAD+ as cofactor preincubated for 15 mins followed by subs... |
J Med Chem 61: 4883-4903 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00270 BindingDB Entry DOI: 10.7270/Q2SB48BH |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase 1A1 (ALDH1A1)
(Homo sapiens (Human)) | BDBM50456222
 (CHEMBL4206272)Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1-c1ccc(cc1)C1(CC1)C#N Show InChI InChI=1S/C25H23FN4O3S/c1-34(32,33)30-12-10-29(11-13-30)24(31)21-15-28-22-7-6-19(26)14-20(22)23(21)17-2-4-18(5-3-17)25(16-27)8-9-25/h2-7,14-15H,8-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
| Article PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description Inhibition of human ALDH1A1 using propionaldehyde as substrate and varied concentration of NAD+ as cofactor preincubated for 15 mins followed by subs... |
J Med Chem 61: 4883-4903 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00270 BindingDB Entry DOI: 10.7270/Q2SB48BH |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM50236899
 (CHEMBL4099822)Show InChI InChI=1S/C17H18O3/c1-5-6-12-10(3)14-7-13-9(2)11(4)19-15(13)8-16(14)20-17(12)18/h7-8H,5-6H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Competitive inhibition of full length recombinant human ALDH2 expressed in Escherichia coli assessed as reduction in dehydrogenase activity using pro... |
J Med Chem 60: 2439-2455 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01825 BindingDB Entry DOI: 10.7270/Q2M32Z11 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aldehyde dehydrogenase 1A1 (ALDH1A1)
(Homo sapiens (Human)) | BDBM50456222
 (CHEMBL4206272)Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1-c1ccc(cc1)C1(CC1)C#N Show InChI InChI=1S/C25H23FN4O3S/c1-34(32,33)30-12-10-29(11-13-30)24(31)21-15-28-22-7-6-19(26)14-20(22)23(21)17-2-4-18(5-3-17)25(16-27)8-9-25/h2-7,14-15H,8-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
| Article PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description Inhibition of human ALDH1A1 using NAD+ as cofactor and varied concentration of propionaldehyde as substrate preincubated for 15 mins followed by subs... |
J Med Chem 61: 4883-4903 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00270 BindingDB Entry DOI: 10.7270/Q2SB48BH |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase 1A1 (ALDH1A1)
(Homo sapiens (Human)) | BDBM50456223
 (CHEMBL4206892)Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC(CC1)(C#N)c1ccccc1 Show InChI InChI=1S/C27H28FN5O3S/c1-37(35,36)33-15-13-32(14-16-33)26(34)23-18-30-24-8-7-21(28)17-22(24)25(23)31-11-9-27(19-29,10-12-31)20-5-3-2-4-6-20/h2-8,17-18H,9-16H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
| Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description Inhibition of human ALDH1A1 using NAD+ as cofactor and varied concentration of propionaldehyde as substrate preincubated for 15 mins followed by subs... |
J Med Chem 61: 4883-4903 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00270 BindingDB Entry DOI: 10.7270/Q2SB48BH |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM50236900
 (CHEMBL4072941)Show InChI InChI=1S/C15H14O3/c1-7-8(2)15(16)18-14-6-13-12(5-11(7)14)9(3)10(4)17-13/h5-6H,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description In vitro for its ability to displace [3H]- spiperone from cloned human dopamine D2 short receptor expressed in CHO cells |
J Med Chem 60: 2439-2455 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01825 BindingDB Entry DOI: 10.7270/Q2M32Z11 |
More data for this Ligand-Target Pair | |
Retinal dehydrogenase 2
(Homo sapiens (Human)) | BDBM50459608
 (CHEBI:90441 | CHEMBL3276621)Show InChI InChI=1S/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20) | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of human ALDH1A2 |
J Med Chem 61: 8754-8773 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00930 BindingDB Entry DOI: 10.7270/Q2V127F6 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinal dehydrogenase 2
(Homo sapiens (Human)) | BDBM50466622
 (CHEMBL4286209)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)C(Cl)Cl Show InChI InChI=1S/C21H28Cl2O/c1-15(8-6-9-16(2)14-19(24)20(22)23)11-12-18-17(3)10-7-13-21(18,4)5/h6,8-9,11-12,14,20H,7,10,13H2,1-5H3/b9-6+,12-11+,15-8+,16-14+ | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
| PC cid PC sid UniChem
| Article PubMed
| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oklahoma Health Sciences Center
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged recombinant human RALDH2 using RAL as substrate measured after 30 mins in presence of NADH by Morrison's plot an... |
Bioorg Med Chem 26: 5766-5779 (2018)
Article DOI: 10.1016/j.bmc.2018.10.009 BindingDB Entry DOI: 10.7270/Q2FB55M4 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase 3A1 (ALDH3A1)
(Homo sapiens (Human)) | BDBM50447056
 (CHEMBL1378094 | US9320722, CB7 | US9328112, CB7)Show InChI InChI=1S/C14H11FN2O2S/c1-10-16-13-4-2-3-5-14(13)17(10)20(18,19)12-8-6-11(15)7-9-12/h2-9H,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Competitive inhibition of human ALDH3A1 using benzaldehyde as substrate by Lineweaver-Burk plot analysis in presence of 1.5 mM NADP+ |
J Med Chem 57: 449-61 (2014)
Article DOI: 10.1021/jm401508p BindingDB Entry DOI: 10.7270/Q2VT1TKK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM50236900
 (CHEMBL4072941)Show InChI InChI=1S/C15H14O3/c1-7-8(2)15(16)18-14-6-13-12(5-11(7)14)9(3)10(4)17-13/h5-6H,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Competitive inhibition of full length recombinant human ALDH2 expressed in Escherichia coli assessed as reduction in dehydrogenase activity using pro... |
J Med Chem 60: 2439-2455 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01825 BindingDB Entry DOI: 10.7270/Q2M32Z11 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase 1A1 (ALDH1A1)
(Homo sapiens (Human)) | BDBM50076550
 (CHEMBL3416554)Show SMILES CC(C)CCn1c(CN2CCC(CC2)C(N)=O)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C19H30N6O3/c1-12(2)5-10-25-14(11-24-8-6-13(7-9-24)16(20)26)21-17-15(25)18(27)23(4)19(28)22(17)3/h12-13H,5-11H2,1-4H3,(H2,20,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University
Curated by ChEMBL
| Assay Description Non-competitive tight inhibition of recombinant human ALDH1A1 using 1000 uM NAD+ as cofactor by Lineweaver-Burk plot analysis in presence of 100 to 8... |
J Med Chem 58: 1964-75 (2015)
Article DOI: 10.1021/jm501900s BindingDB Entry DOI: 10.7270/Q22V2HTK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aldehyde dehydrogenase 3A1 (ALDH3A1)
(Homo sapiens (Human)) | BDBM50447056
 (CHEMBL1378094 | US9320722, CB7 | US9328112, CB7)Show InChI InChI=1S/C14H11FN2O2S/c1-10-16-13-4-2-3-5-14(13)17(10)20(18,19)12-8-6-11(15)7-9-12/h2-9H,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Non-competitive inhibition of human ALDH3A1 using benzaldehyde as substrate by Lineweaver-Burk plot analysis in presence of 100 to 500 uM NADP+ |
J Med Chem 57: 449-61 (2014)
Article DOI: 10.1021/jm401508p BindingDB Entry DOI: 10.7270/Q2VT1TKK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinal dehydrogenase 2
(Gallus gallus) | BDBM50466622
 (CHEMBL4286209)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)C(Cl)Cl Show InChI InChI=1S/C21H28Cl2O/c1-15(8-6-9-16(2)14-19(24)20(22)23)11-12-18-17(3)10-7-13-21(18,4)5/h6,8-9,11-12,14,20H,7,10,13H2,1-5H3/b9-6+,12-11+,15-8+,16-14+ | UniProtKB/SwissProt
GoogleScholar
| PC cid PC sid UniChem
| Article PubMed
| 128 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oklahoma Health Sciences Center
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged recombinant chick RALDH2 expressed in Escherichia coli BL21(DE3) cells up to 500 nM using RAL as substrate prein... |
Bioorg Med Chem 26: 5766-5779 (2018)
Article DOI: 10.1016/j.bmc.2018.10.009 BindingDB Entry DOI: 10.7270/Q2FB55M4 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase 1A1 (ALDH1A1)
(Homo sapiens (Human)) | BDBM50236904
 (CHEMBL1335126)Show SMILES Cc1oc2cc3oc(=O)c(CCC(=O)N4CCCCC4)c(C)c3cc2c1C Show InChI InChI=1S/C22H25NO4/c1-13-15(3)26-19-12-20-18(11-17(13)19)14(2)16(22(25)27-20)7-8-21(24)23-9-5-4-6-10-23/h11-12H,4-10H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Uncompetitive inhibition of full length recombinant human ALDH1A1 expressed in Escherichia coli BL21(DE3) using propionaldehyde as substrate in prese... |
J Med Chem 60: 2439-2455 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01825 BindingDB Entry DOI: 10.7270/Q2M32Z11 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinal dehydrogenase 1
(Gallus gallus) | BDBM50466622
 (CHEMBL4286209)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)C(Cl)Cl Show InChI InChI=1S/C21H28Cl2O/c1-15(8-6-9-16(2)14-19(24)20(22)23)11-12-18-17(3)10-7-13-21(18,4)5/h6,8-9,11-12,14,20H,7,10,13H2,1-5H3/b9-6+,12-11+,15-8+,16-14+ | UniProtKB/SwissProt
GoogleScholar
| PC cid PC sid UniChem
| Article PubMed
| 194 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oklahoma Health Sciences Center
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged recombinant chick RALDH1 expressed in Escherichia coli BL21(DE3) cells using RAL as substrate measured after 30 ... |
Bioorg Med Chem 26: 5766-5779 (2018)
Article DOI: 10.1016/j.bmc.2018.10.009 BindingDB Entry DOI: 10.7270/Q2FB55M4 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase 3A1 (ALDH3A1)
(Homo sapiens (Human)) | BDBM50447056
 (CHEMBL1378094 | US9320722, CB7 | US9328112, CB7)Show InChI InChI=1S/C14H11FN2O2S/c1-10-16-13-4-2-3-5-14(13)17(10)20(18,19)12-8-6-11(15)7-9-12/h2-9H,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar
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CHEMBL PC cid PC sid PDB UniChem
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| PDB US Patent
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Indiana University Research and Technology Corporation
US Patent
| Assay Description IC50 values were determined for CB29 and its analogs using propionaldehyde as the substrate for ALDH1A1 and ALDH2 or benzaldehyde as the substrate fo... |
US Patent US9320722 (2016)
BindingDB Entry DOI: 10.7270/Q2V69HGB |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aldehyde dehydrogenase 3A1 (ALDH3A1)
(Homo sapiens (Human)) | BDBM50447056
 (CHEMBL1378094 | US9320722, CB7 | US9328112, CB7)Show InChI InChI=1S/C14H11FN2O2S/c1-10-16-13-4-2-3-5-14(13)17(10)20(18,19)12-8-6-11(15)7-9-12/h2-9H,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar
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CHEMBL PC cid PC sid PDB UniChem
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| PDB US Patent
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Indiana University Research and Technology Corporation
US Patent
| Assay Description IC50 values were determined for CB29 and its analogs using propionaldehyde as the substrate for ALDH1A1 and ALDH2 or benzaldehyde as the substrate fo... |
US Patent US9320722 (2016)
BindingDB Entry DOI: 10.7270/Q2V69HGB |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aldehyde dehydrogenase 3A1 (ALDH3A1)
(Homo sapiens (Human)) | BDBM50447056
 (CHEMBL1378094 | US9320722, CB7 | US9328112, CB7)Show InChI InChI=1S/C14H11FN2O2S/c1-10-16-13-4-2-3-5-14(13)17(10)20(18,19)12-8-6-11(15)7-9-12/h2-9H,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of human wild-type ALDH3A1-mediated benzaldehyde oxidation |
J Med Chem 57: 449-61 (2014)
Article DOI: 10.1021/jm401508p BindingDB Entry DOI: 10.7270/Q2VT1TKK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aldehyde dehydrogenase 1A1 (ALDH1A1)
(Homo sapiens (Human)) | BDBM50076741
 (CHEMBL3416562)Show SMILES CCOC(=O)CSc1nc2c3ccccc3sc2c(=O)n1CCCN1CCCC1 Show InChI InChI=1S/C21H25N3O3S2/c1-2-27-17(25)14-28-21-22-18-15-8-3-4-9-16(15)29-19(18)20(26)24(21)13-7-12-23-10-5-6-11-23/h3-4,8-9H,2,5-7,10-14H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
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CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University
Curated by ChEMBL
| Assay Description Competitive inhibition of recombinant human ALDH1A1 using 800 uM NAD+ as cofactor by Lineweaver-Burk plot analysis in presence of 100 to 800 uM aceta... |
J Med Chem 58: 1964-75 (2015)
Article DOI: 10.1021/jm501900s BindingDB Entry DOI: 10.7270/Q22V2HTK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aldehyde dehydrogenase 1A1 (ALDH1A1)
(Homo sapiens (Human)) | BDBM50076740
 (CHEMBL1382328)Show SMILES Cn1c2nc(CN3CCC(CC3)C(N)=O)n(CCCc3ccccc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C23H30N6O3/c1-26-21-19(22(31)27(2)23(26)32)29(12-6-9-16-7-4-3-5-8-16)18(25-21)15-28-13-10-17(11-14-28)20(24)30/h3-5,7-8,17H,6,9-15H2,1-2H3,(H2,24,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University
Curated by ChEMBL
| Assay Description Competitive tight inhibition of recombinant human ALDH1A1 using 1000 uM NAD+ as cofactor by Lineweaver-Burk plot analysis in presence of 100 to 800 u... |
J Med Chem 58: 1964-75 (2015)
Article DOI: 10.1021/jm501900s BindingDB Entry DOI: 10.7270/Q22V2HTK |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase family 1 member A3
(Homo sapiens (Human)) | BDBM50459608
 (CHEBI:90441 | CHEMBL3276621)Show InChI InChI=1S/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20) | PDB
Reactome pathway
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar
| PC cid PC sid PDB UniChem
| Article PubMed
| 261 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of human ALDH1A3 |
J Med Chem 61: 8754-8773 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00930 BindingDB Entry DOI: 10.7270/Q2V127F6 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase 1A1 (ALDH1A1)
(Homo sapiens (Human)) | BDBM50459608
 (CHEBI:90441 | CHEMBL3276621)Show InChI InChI=1S/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid PDB UniChem
| Article PubMed
| 285 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of human ALDH1A1 |
J Med Chem 61: 8754-8773 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00930 BindingDB Entry DOI: 10.7270/Q2V127F6 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase 1A1 (ALDH1A1)
(Homo sapiens (Human)) | BDBM50448790
 (CHEMBL3128208)Show InChI InChI=1S/C9H6BrNO2/c1-4-2-5-7(6(10)3-4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13) | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Noncompetitive/mixed type inhibition of human ALDH1A1 by Lineweaver-Burk plot analysis in presence of NAD+ |
J Med Chem 57: 714-22 (2014)
Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM50236901
 (CHEMBL4061563)Show InChI InChI=1S/C14H14O5/c1-8-6-13(15)19-12-7-10(4-5-11(8)12)18-9(2)14(16)17-3/h4-7,9H,1-3H3 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]spiperone from human Dopamine receptor D3 expressed in CHO cells |
J Med Chem 60: 2439-2455 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01825 BindingDB Entry DOI: 10.7270/Q2M32Z11 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase 1A1 (ALDH1A1)
(Homo sapiens (Human)) | BDBM50459601
 (CHEMBL4217738)Show SMILES Cc1ccccc1-n1c(SCc2cccc(F)c2)nc2[nH]ncc2c1=O Show InChI InChI=1S/C19H15FN4OS/c1-12-5-2-3-8-16(12)24-18(25)15-10-21-23-17(15)22-19(24)26-11-13-6-4-7-14(20)9-13/h2-10H,11H2,1H3,(H,21,23) | PDB MMDB
Reactome pathway KEGG
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| PC cid PC sid UniChem
| Article PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Non-competitive inhibition of human recombinant ALDH1A1 assessed as reduction of NAD(P)H formation using varying levels of NAD+ |
J Med Chem 61: 8754-8773 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00930 BindingDB Entry DOI: 10.7270/Q2V127F6 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase 3A1 (ALDH3A1)
(Homo sapiens (Human)) | BDBM50448790
 (CHEMBL3128208)Show InChI InChI=1S/C9H6BrNO2/c1-4-2-5-7(6(10)3-4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13) | PDB
Reactome pathway KEGG
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| Article PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of human ALDH3A1 using benzaldehyde as substrate by Lineweaver-Burk plot analysis |
J Med Chem 57: 714-22 (2014)
Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM50359990
 (PRUNETIN)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 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ALDH2 |
J Med Chem 51: 4482-7 (2008)
Article DOI: 10.1021/jm800488j BindingDB Entry DOI: 10.7270/Q2QF8TRF |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase 3A1 (ALDH3A1)
(Homo sapiens (Human)) | BDBM50448790
 (CHEMBL3128208)Show InChI InChI=1S/C9H6BrNO2/c1-4-2-5-7(6(10)3-4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13) | PDB
Reactome pathway KEGG
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| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of human ALDH3A1 by Lineweaver-Burk plot analysis in presence of NADP+ |
J Med Chem 57: 714-22 (2014)
Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase family 1 member A3
(Homo sapiens (Human)) | BDBM50527781
 (CHEMBL4456676)Show InChI InChI=1S/C19H14N2/c1-3-7-15(8-4-1)17-11-12-19-20-18(14-21(19)13-17)16-9-5-2-6-10-16/h1-14H | PDB
Reactome pathway
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| PC cid PC sid UniChem
| Article PubMed
| 540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description Competitive inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using varying level of acetaldehyde as substr... |
J Med Chem 63: 4603-4616 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01910 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase 1A1 (ALDH1A1)
(Homo sapiens (Human)) | BDBM30972
 (8-[[4-(2-furoyl)piperazino]methyl]-7-isoamyl-1,3-d...)Show SMILES CC(C)CCn1c(CN2CCN(CC2)C(=O)c2ccco2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C22H30N6O4/c1-15(2)7-8-28-17(23-19-18(28)21(30)25(4)22(31)24(19)3)14-26-9-11-27(12-10-26)20(29)16-6-5-13-32-16/h5-6,13,15H,7-12,14H2,1-4H3 | PDB MMDB
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| 720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University
Curated by ChEMBL
| Assay Description Uncompetitive partial inhibition of recombinant human ALDH1A1 using 200 uM propionaldehyde as substrate by Lineweaver-Burk plot analysis in presence ... |
J Med Chem 58: 1964-75 (2015)
Article DOI: 10.1021/jm501900s BindingDB Entry DOI: 10.7270/Q22V2HTK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aldehyde dehydrogenase 1A1 (ALDH1A1)
(Homo sapiens (Human)) | BDBM30972
 (8-[[4-(2-furoyl)piperazino]methyl]-7-isoamyl-1,3-d...)Show SMILES CC(C)CCn1c(CN2CCN(CC2)C(=O)c2ccco2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C22H30N6O4/c1-15(2)7-8-28-17(23-19-18(28)21(30)25(4)22(31)24(19)3)14-26-9-11-27(12-10-26)20(29)16-6-5-13-32-16/h5-6,13,15H,7-12,14H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
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| PDB Article PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University
Curated by ChEMBL
| Assay Description Non-competitive partial inhibition of recombinant human ALDH1A1 using 800 uM NAD+ as cofactor by Lineweaver-Burk plot analysis in presence of 100 to ... |
J Med Chem 58: 1964-75 (2015)
Article DOI: 10.1021/jm501900s BindingDB Entry DOI: 10.7270/Q22V2HTK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aldehyde dehydrogenase 1A1 (ALDH1A1)
(Homo sapiens (Human)) | BDBM50078833
 (4-Methyl-7-(diethylamino)coumarin | 7-(diethylamin...)Show InChI InChI=1S/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
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| 870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Non-competitive inhibition of full length recombinant human ALDH1A1 expressed in Escherichia coli BL21(DE3) assessed as reduction in dehydrogenase ac... |
J Med Chem 60: 2439-2455 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01825 BindingDB Entry DOI: 10.7270/Q2M32Z11 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aldehyde dehydrogenase 1A1 (ALDH1A1)
(Homo sapiens (Human)) | BDBM50448790
 (CHEMBL3128208)Show InChI InChI=1S/C9H6BrNO2/c1-4-2-5-7(6(10)3-4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13) | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Competitive inhibition of human ALDH1A1 using propionaldehyde as substrate by Lineweaver-Burk plot analysis |
J Med Chem 57: 714-22 (2014)
Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM50448790
 (CHEMBL3128208)Show InChI InChI=1S/C9H6BrNO2/c1-4-2-5-7(6(10)3-4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13) | PDB MMDB
Reactome pathway KEGG
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of human ALDH2 using propionaldehyde as substrate by Lineweaver-Burk plot analysis |
J Med Chem 57: 714-22 (2014)
Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM50236904
 (CHEMBL1335126)Show SMILES Cc1oc2cc3oc(=O)c(CCC(=O)N4CCCCC4)c(C)c3cc2c1C Show InChI InChI=1S/C22H25NO4/c1-13-15(3)26-19-12-20-18(11-17(13)19)14(2)16(22(25)27-20)7-8-21(24)23-9-5-4-6-10-23/h11-12H,4-10H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Competitive inhibition of full length recombinant human ALDH2 expressed in Escherichia coli assessed as reduction in dehydrogenase activity using pro... |
J Med Chem 60: 2439-2455 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01825 BindingDB Entry DOI: 10.7270/Q2M32Z11 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase 3A1 (ALDH3A1)
(Homo sapiens (Human)) | BDBM22794
 (1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...)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 | PDB
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| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of human ALDH3A1 using benzaldehyde as substrate by Lineweaver-Burk plot analysis |
J Med Chem 57: 714-22 (2014)
Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase 1A1 (ALDH1A1)
(Homo sapiens (Human)) | BDBM50078833
 (4-Methyl-7-(diethylamino)coumarin | 7-(diethylamin...)Show InChI InChI=1S/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H3 | PDB MMDB
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| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Non-competitive inhibition of full length recombinant human ALDH1A1 expressed in Escherichia coli BL21(DE3) assessed as reduction in dehydrogenase ac... |
J Med Chem 60: 2439-2455 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01825 BindingDB Entry DOI: 10.7270/Q2M32Z11 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM50448790
 (CHEMBL3128208)Show InChI InChI=1S/C9H6BrNO2/c1-4-2-5-7(6(10)3-4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13) | PDB MMDB
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| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of human ALDH2 by Lineweaver-Burk plot analysis in presence of NAD+ |
J Med Chem 57: 714-22 (2014)
Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM50236910
 (CHEMBL4083412)Show InChI InChI=1S/C11H8BrNO3/c1-6(13-15)9-5-7-4-8(12)2-3-10(7)16-11(9)14/h2-5,15H,1H3/b13-6+ | PDB MMDB
Reactome pathway KEGG
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| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Competitive inhibition of full length recombinant human ALDH2 expressed in Escherichia coli assessed as reduction in dehydrogenase activity using pro... |
J Med Chem 60: 2439-2455 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01825 BindingDB Entry DOI: 10.7270/Q2M32Z11 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase 3A1 (ALDH3A1)
(Homo sapiens (Human)) | BDBM22794
 (1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...)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 | PDB
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| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of human ALDH3A1 by Lineweaver-Burk plot analysis in presence of NADP+ |
J Med Chem 57: 714-22 (2014)
Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase 3A1 (ALDH3A1)
(Homo sapiens (Human)) | BDBM109210
 (CB29)Show SMILES CC(=O)Nc1ccc(Nc2ccc(cc2[N+]([O-])=O)S(C)(=O)=O)cc1 Show InChI InChI=1S/C15H15N3O5S/c1-10(19)16-11-3-5-12(6-4-11)17-14-8-7-13(24(2,22)23)9-15(14)18(20)21/h3-9,17H,1-2H3,(H,16,19) | PDB
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| 4.70E+3 | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine, 635 Barnhill Drive, Indianapolis, IN, 46202 (USA)
| Assay Description To determine the IC50 values for CB29 and its analogues, propionaldehyde was used as the substrate for ALDH1A1 and ALDH2 and benzaldehyde was used as... |
Chembiochem 15: 701-712 (2014)
Article DOI: 10.1002/cbic.201300625 BindingDB Entry DOI: 10.7270/Q2V986PZ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM50303403
 (2-(4-methyl-2-oxo-2H-chromen-7-yloxy)acetonitrile ...)Show InChI InChI=1S/C12H9NO3/c1-8-6-12(14)16-11-7-9(15-5-4-13)2-3-10(8)11/h2-3,6-7H,5H2,1H3 | PDB MMDB
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| 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Mixed-type non-competitive inhibition of full length recombinant human ALDH2 expressed in Escherichia coli assessed as reduction in dehydrogenase act... |
J Med Chem 60: 2439-2455 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01825 BindingDB Entry DOI: 10.7270/Q2M32Z11 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase 1A1 (ALDH1A1)
(Homo sapiens (Human)) | BDBM50303403
 (2-(4-methyl-2-oxo-2H-chromen-7-yloxy)acetonitrile ...)Show InChI InChI=1S/C12H9NO3/c1-8-6-12(14)16-11-7-9(15-5-4-13)2-3-10(8)11/h2-3,6-7H,5H2,1H3 | PDB MMDB
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| 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description Non-competitive inhibition of full length recombinant human ALDH1A1 expressed in Escherichia coli BL21(DE3) assessed as reduction in dehydrogenase ac... |
J Med Chem 60: 2439-2455 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01825 BindingDB Entry DOI: 10.7270/Q2M32Z11 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM22794
 (1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...)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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
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MMDB PC cid PC sid PDB UniChem
Patents
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| PDB Article PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 57: 714-22 (2014)
Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM22794
 (1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...)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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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+ |
J Med Chem 57: 714-22 (2014)
Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aldehyde dehydrogenase 1A1 (ALDH1A1)
(Homo sapiens (Human)) | BDBM50272239
 (4-amino-4-methyl-pent-2-ynthioic acid S-methyl est...)Show InChI InChI=1S/C7H11NOS/c1-7(2,8)5-4-6(9)10-3/h8H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Claude Bernard University Lyon 1
Curated by ChEMBL
| Assay Description Inhibition of ALDH1 (unknown origin) |
Eur J Med Chem 43: 906-16 (2008)
Article DOI: 10.1016/j.ejmech.2007.06.004 BindingDB Entry DOI: 10.7270/Q2D79B60 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM118233
 (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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | 7.4 | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50093535
 (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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of Hamster Liver mitochondrial ALDH-2 |
J Med Chem 43: 4169-79 (2000)
Article DOI: 10.1021/jm990614i BindingDB Entry DOI: 10.7270/Q2GX49T8 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM50093537
 (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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of Hamster Liver mitochondrial ALDH-2 |
J Med Chem 43: 4169-79 (2000)
Article DOI: 10.1021/jm990614i BindingDB Entry DOI: 10.7270/Q2GX49T8 |
More data for this Ligand-Target Pair | |