Found 12 hits of ki data for polymerid = 6049 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)) | 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
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| 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, 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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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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 | |
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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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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, 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
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
Similars
| 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, 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
UniProtKB/SwissProt
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MCE KEGG PC cid PC sid UniChem
Patents
Similars
| 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, 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
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 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
UniProtKB/SwissProt
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Similars
| Article PubMed
| 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, 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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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, 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
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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, 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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MMDB PC cid PC sid PDB UniChem
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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
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MMDB PC cid PC sid PDB UniChem
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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) |