Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50010331 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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)
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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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)
BindingDB Entry DOI: 10.7270/Q2GX49T8 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM50093531
(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 9 | 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)
BindingDB Entry DOI: 10.7270/Q2GX49T8 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM50093534
(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 9 | 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)
BindingDB Entry DOI: 10.7270/Q2GX49T8 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM50093538
(3-(4-Hydroxyphenyl)-7-ethoxychromen-4-one | 7-Etho...)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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 40 | 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)
BindingDB Entry DOI: 10.7270/Q2GX49T8 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM50409029
(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 |r| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB PubMed
| n/a | n/a | 40 | 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)
BindingDB Entry DOI: 10.7270/Q2GX49T8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM50093528
(7-(2,3-Dihydroxy-propoxy)-3-(4-hydroxy-phenyl)-chr...)Show InChI InChI=1S/C18H16O6/c19-8-13(21)9-23-14-5-6-15-17(7-14)24-10-16(18(15)22)11-1-3-12(20)4-2-11/h1-7,10,13,19-21H,8-9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibition of Hamster Liver mitochondrial ALDH-2 |
J Med Chem 43: 4169-79 (2000)
BindingDB Entry DOI: 10.7270/Q2GX49T8 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM50093530
(7-(3-Bromo-propoxy)-3-(4-hydroxy-phenyl)-chromen-4...)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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 260 | 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)
BindingDB Entry DOI: 10.7270/Q2GX49T8 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM50093529
(7-(4-Bromo-butoxy)-3-(4-hydroxy-phenyl)-chromen-4-...)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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 270 | 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)
BindingDB Entry DOI: 10.7270/Q2GX49T8 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM50093532
(7-(6-Bromo-hexyloxy)-3-(4-hydroxy-phenyl)-chromen-...)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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 300 | 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)
BindingDB Entry DOI: 10.7270/Q2GX49T8 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM50093533
(7-(2-[1,3]Dioxan-2-yl-ethoxy)-3-(4-hydroxy-phenyl)...)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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 400 | 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)
BindingDB Entry DOI: 10.7270/Q2GX49T8 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM50093536
(7-Allyloxy-3-(4-hydroxy-phenyl)-chromen-4-one | CH...)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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 800 | 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)
BindingDB Entry DOI: 10.7270/Q2GX49T8 |
More data for this Ligand-Target Pair | |
Aldehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM23420
(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 9.00E+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)
BindingDB Entry DOI: 10.7270/Q2GX49T8 |
More data for this Ligand-Target Pair | |