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BDBM50014345 CHEMBL11804::Sodium; (E)-(3R,5S)-9,9-bis-(4-fluoro-phenyl)-3,5-dihydroxy-8-(1-methyl-1H-tetrazol-5-yl)-nona-6,8-dienoate::Sodium; 9,9-bis-(4-fluoro-phenyl)-3,5-dihydroxy-8-(1-methyl-1H-tetrazol-5-yl)-nona-6,8-dienoate
SMILES: [#6]-n1nnnc1\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
InChI Key: InChIKey=HPFIYXJJZZWEPC-MMKWGKFASA-M
Data: 11 IC50
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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 (HMG-CoA) (Homo sapiens (Human)) | BDBM50014345 (CHEMBL11804 | Sodium; (E)-(3R,5S)-9,9-bis-(4-fluor...) | PDB B.MOAD GoogleScholar AffyNet  | CHEMBL KEGG PC cid PC sid UniChem Similars | Article | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for inhibitory activity against HMG-CoA reductase in adrenal cell preparation | Bioorg Med Chem Lett 2: 1085-1088 (1992) Article DOI: 10.1016/S0960-894X(00)80623-X BindingDB Entry DOI: 10.7270/Q2NG4QJQ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| HMG-CoA reductase (Rattus norvegicus (rat)) | BDBM50014345 (CHEMBL11804 | Sodium; (E)-(3R,5S)-9,9-bis-(4-fluor...) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 13 | 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 | |||||||||||||
| HMG-CoA reductase (Rattus norvegicus (rat)) | BDBM50014345 (CHEMBL11804 | Sodium; (E)-(3R,5S)-9,9-bis-(4-fluor...) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article | n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for inhibitory activity against HMG-CoA reductase in spleen cell preparation | Bioorg Med Chem Lett 2: 1085-1088 (1992) Article DOI: 10.1016/S0960-894X(00)80623-X BindingDB Entry DOI: 10.7270/Q2NG4QJQ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| HMG-CoA reductase (Mus musculus) | BDBM50014345 (CHEMBL11804 | Sodium; (E)-(3R,5S)-9,9-bis-(4-fluor...) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article | n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated in vitro for inhibitory activity against isolated enzyme HMG-CoA reductase | Bioorg Med Chem Lett 2: 1085-1088 (1992) Article DOI: 10.1016/S0960-894X(00)80623-X BindingDB Entry DOI: 10.7270/Q2NG4QJQ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| HMG-CoA reductase (Rattus norvegicus (rat)) | BDBM50014345 (CHEMBL11804 | Sodium; (E)-(3R,5S)-9,9-bis-(4-fluor...) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase | J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| HMG-CoA reductase (Rattus norvegicus (rat)) | BDBM50014345 (CHEMBL11804 | Sodium; (E)-(3R,5S)-9,9-bis-(4-fluor...) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for inhibitory activity against HMG-CoA reductase in HepG2 cells | Bioorg Med Chem Lett 2: 1085-1088 (1992) Article DOI: 10.1016/S0960-894X(00)80623-X BindingDB Entry DOI: 10.7270/Q2NG4QJQ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| HMG-CoA reductase (Rattus norvegicus (rat)) | BDBM50014345 (CHEMBL11804 | Sodium; (E)-(3R,5S)-9,9-bis-(4-fluor...) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for inhibitory activity against HMG-CoA reductase in liver cell preparation | Bioorg Med Chem Lett 2: 1085-1088 (1992) Article DOI: 10.1016/S0960-894X(00)80623-X BindingDB Entry DOI: 10.7270/Q2NG4QJQ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| HMG-CoA reductase (Homo sapiens (Human)) | BDBM50014345 (CHEMBL11804 | Sodium; (E)-(3R,5S)-9,9-bis-(4-fluor...) | PDB B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for inhibitory activity against rat hepatocyte | Bioorg Med Chem Lett 2: 1085-1088 (1992) Article DOI: 10.1016/S0960-894X(00)80623-X BindingDB Entry DOI: 10.7270/Q2NG4QJQ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| HMG-CoA reductase (Rattus norvegicus (rat)) | BDBM50014345 (CHEMBL11804 | Sodium; (E)-(3R,5S)-9,9-bis-(4-fluor...) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for inhibitory activity against HMG-CoA reductase in bovine occular cell preparation | Bioorg Med Chem Lett 2: 1085-1088 (1992) Article DOI: 10.1016/S0960-894X(00)80623-X BindingDB Entry DOI: 10.7270/Q2NG4QJQ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| HMG-CoA reductase (Homo sapiens (Human)) | BDBM50014345 (CHEMBL11804 | Sodium; (E)-(3R,5S)-9,9-bis-(4-fluor...) | PDB B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article | n/a | n/a | 1.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for inhibitory activity against HMG-CoA reductase in testes cell preparation | Bioorg Med Chem Lett 2: 1085-1088 (1992) Article DOI: 10.1016/S0960-894X(00)80623-X BindingDB Entry DOI: 10.7270/Q2NG4QJQ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| HMG-CoA reductase (Rattus norvegicus (rat)) | BDBM50014345 (CHEMBL11804 | Sodium; (E)-(3R,5S)-9,9-bis-(4-fluor...) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase | J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
