BDBM50160720 3-hydroxy-3-methylglutaric acid::3-hydroxy-3-methylpentanedioic acid::CHEMBL50444::beta-hydroxy-beta-methylglutaric acid::meglutol
SMILES: CC(O)(CC(O)=O)CC(O)=O
InChI Key: InChIKey=NPOAOTPXWNWTSH-UHFFFAOYSA-N
Data: 1 KI 1 IC50
PDB links: 3 PDB IDs match this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50160720 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)) | BDBM50160720
(3-hydroxy-3-methylglutaric acid | 3-hydroxy-3-meth...)Show InChI InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 23.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Autónoma de México
Curated by ChEMBL
| Assay Description Inhibitory constant against HMG-CoA reductase |
Bioorg Med Chem Lett 15: 989-94 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.046 BindingDB Entry DOI: 10.7270/Q2BC3Z1P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)
(Homo sapiens (Human)) | BDBM50160720
(3-hydroxy-3-methylglutaric acid | 3-hydroxy-3-meth...)Show InChI InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Autónoma de México
Curated by ChEMBL
| Assay Description Inhibitory concentration against HMG-CoA reductase |
Bioorg Med Chem Lett 15: 989-94 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.046 BindingDB Entry DOI: 10.7270/Q2BC3Z1P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |