Found 13 hits of Enzyme Inhibition Constant Data 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 |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50011036
((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)Show SMILES CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |r,c:12,t:10| Show InChI InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase from rat liver |
J Med Chem 28: 597-601 (1985)
BindingDB Entry DOI: 10.7270/Q2QV3KHN |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026334
(3-Hydroxy-3-pentadecyl-pentanedioic acid | CHEMBL1...)Show InChI InChI=1S/C20H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25,16-18(21)22)17-19(23)24/h25H,2-17H2,1H3,(H,21,22)(H,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase from rat liver |
J Med Chem 28: 597-601 (1985)
BindingDB Entry DOI: 10.7270/Q2QV3KHN |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026339
(3-Hydroxy-3-tridecyl-pentanedioic acid | CHEMBL155...)Show InChI InChI=1S/C18H34O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(23,14-16(19)20)15-17(21)22/h23H,2-15H2,1H3,(H,19,20)(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase from rat liver |
J Med Chem 28: 597-601 (1985)
BindingDB Entry DOI: 10.7270/Q2QV3KHN |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026344
(3-Decyl-3-hydroxy-pentanedioic acid | CHEMBL154728)Show InChI InChI=1S/C15H28O5/c1-2-3-4-5-6-7-8-9-10-15(20,11-13(16)17)12-14(18)19/h20H,2-12H2,1H3,(H,16,17)(H,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase from rat liver |
J Med Chem 28: 597-601 (1985)
BindingDB Entry DOI: 10.7270/Q2QV3KHN |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026340
(3-Heptadecyl-3-hydroxy-pentanedioic acid | CHEMBL1...)Show InChI InChI=1S/C22H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27,18-20(23)24)19-21(25)26/h27H,2-19H2,1H3,(H,23,24)(H,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase from rat liver |
J Med Chem 28: 597-601 (1985)
BindingDB Entry DOI: 10.7270/Q2QV3KHN |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026337
(3-Hexadecyl-3-hydroxy-pentanedioic acid | CHEMBL15...)Show InChI InChI=1S/C21H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(26,17-19(22)23)18-20(24)25/h26H,2-18H2,1H3,(H,22,23)(H,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase from rat liver |
J Med Chem 28: 597-601 (1985)
BindingDB Entry DOI: 10.7270/Q2QV3KHN |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026343
(3-Hydroxy-3-tetradecyl-pentanedioic acid | CHEMBL1...)Show InChI InChI=1S/C19H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(24,15-17(20)21)16-18(22)23/h24H,2-16H2,1H3,(H,20,21)(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase from rat liver |
J Med Chem 28: 597-601 (1985)
BindingDB Entry DOI: 10.7270/Q2QV3KHN |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026342
(4-Hydroxy-4-pentadecyl-dihydro-pyran-2,6-dione | C...)Show InChI InChI=1S/C20H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(23)16-18(21)24-19(22)17-20/h23H,2-17H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase from rat liver |
J Med Chem 28: 597-601 (1985)
BindingDB Entry DOI: 10.7270/Q2QV3KHN |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026338
(3-Hydroxy-3-nonadecyl-pentanedioic acid | CHEMBL15...)Show InChI InChI=1S/C24H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(29,20-22(25)26)21-23(27)28/h29H,2-21H2,1H3,(H,25,26)(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase from rat liver |
J Med Chem 28: 597-601 (1985)
BindingDB Entry DOI: 10.7270/Q2QV3KHN |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026345
(4-Hydroxy-4-pentadecyl-tetrahydro-pyran-2-one | CH...)Show InChI InChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(22)16-17-23-19(21)18-20/h22H,2-18H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 7.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase from rat liver |
J Med Chem 28: 597-601 (1985)
BindingDB Entry DOI: 10.7270/Q2QV3KHN |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026341
(3-Hydroxy-3-pentadecyl-pentanedioic acid monoethyl...)Show InChI InChI=1S/C22H42O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26,18-20(23)24)19-21(25)27-4-2/h26H,3-19H2,1-2H3,(H,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 9.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase from rat liver |
J Med Chem 28: 597-601 (1985)
BindingDB Entry DOI: 10.7270/Q2QV3KHN |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026335
(4-Pentadecyl-tetrahydro-pyran-2,4-diol | CHEMBL154...)Show InChI InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(22)16-17-23-19(21)18-20/h19,21-22H,2-18H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase from rat liver |
J Med Chem 28: 597-601 (1985)
BindingDB Entry DOI: 10.7270/Q2QV3KHN |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026336
(3-Hydroxy-3-pentadecyl-pentanedioic acid diethyl e...)Show InChI InChI=1S/C24H46O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-24(27,20-22(25)28-5-2)21-23(26)29-6-3/h27H,4-21H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase from rat liver |
J Med Chem 28: 597-601 (1985)
BindingDB Entry DOI: 10.7270/Q2QV3KHN |
More data for this Ligand-Target Pair | |