Found 6 hits in this display 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)) | BDBM50368147
((+)-(3R,5S)-fluvastatin | (3R,5S)-fluvastatin | (3...)Show SMILES CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2ccccc12 |r| Show InChI InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/p-1/b12-11+/t18-,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Similars
| PDB PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
R. W. Johnson Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 0.0015-0.0040 |
J Med Chem 36: 3674-85 (1994)
BindingDB Entry DOI: 10.7270/Q2R78FVG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50368147
((+)-(3R,5S)-fluvastatin | (3R,5S)-fluvastatin | (3...)Show SMILES CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2ccccc12 |r| Show InChI InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/p-1/b12-11+/t18-,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Similars
| PDB PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description In vitro inhibition of solubilized HMG-CoA reductase in rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50368147
((+)-(3R,5S)-fluvastatin | (3R,5S)-fluvastatin | (3...)Show SMILES CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2ccccc12 |r| Show InChI InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/p-1/b12-11+/t18-,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Inhibition of rat HMG-CoA reductase using 0.37 MBq DL-[3-14C]HMG-CoA |
Bioorg Med Chem Lett 19: 4228-31 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.100 BindingDB Entry DOI: 10.7270/Q22F7PCK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50368147
((+)-(3R,5S)-fluvastatin | (3R,5S)-fluvastatin | (3...)Show SMILES CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2ccccc12 |r| Show InChI InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/p-1/b12-11+/t18-,19-/m1/s1 | PDB
UniProtKB/SwissProt
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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Pharmaceutical Education and Research (NIPER)
Curated by ChEMBL
| Assay Description Inhibitory concentration against 3-hydroxy-3-methylglutaryl-CoA reductase |
Bioorg Med Chem Lett 15: 1027-32 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.042 BindingDB Entry DOI: 10.7270/Q2TB17N9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50368147
((+)-(3R,5S)-fluvastatin | (3R,5S)-fluvastatin | (3...)Show SMILES CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2ccccc12 |r| Show InChI InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/p-1/b12-11+/t18-,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Similars
| PDB PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description Ability to inhibit microsomal preparation of HMG-CoA reductase in rat liver. |
J Med Chem 34: 463-6 (1991)
BindingDB Entry DOI: 10.7270/Q2MS3TC4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Probable global transcription activator SNF2L2
(Homo sapiens (Human)) | BDBM50368147
((+)-(3R,5S)-fluvastatin | (3R,5S)-fluvastatin | (3...)Show SMILES CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2ccccc12 |r| Show InChI InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/p-1/b12-11+/t18-,19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 9.11E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q2GF0S4R |
More data for this Ligand-Target Pair | |