Found 8 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 |
|---|
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50455629
(CHEMBL487720)Show SMILES CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12 Show InChI InChI=1S/C25H40O6.Na/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);/q;+1/p-1/t15-,16-,18+,19+,20-,21-,23-;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
British Bio-technology Limited
Curated by ChEMBL
| Assay Description
Inhibitory activity against HMG-CoA reductase from rat liver microsomal preparation |
J Med Chem 35: 3388-93 (1992)
Article DOI: 10.1021/jm00096a015
BindingDB Entry DOI: 10.7270/Q2HD7W9V |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)
(Homo sapiens (Human)) | BDBM50455629
(CHEMBL487720)Show SMILES CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12 Show InChI InChI=1S/C25H40O6.Na/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);/q;+1/p-1/t15-,16-,18+,19+,20-,21-,23-;/m0./s1 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
antibodypedia
GoogleScholar
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
British Bio-technology Limited
Curated by ChEMBL
| Assay Description
Concentration required to inhibit HMG-CoA reductase by 50% was determined in Hep G2 cell line |
J Med Chem 35: 3388-93 (1992)
Article DOI: 10.1021/jm00096a015
BindingDB Entry DOI: 10.7270/Q2HD7W9V |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406129
(CHEMBL175236)Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12 Show InChI InChI=1S/C24H38O6/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28/h6-7,10,14-16,18-21,23,25-26H,5,8-9,11-13H2,1-4H3,(H,27,28)/p-1/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
British Bio-technology Limited
Curated by ChEMBL
| Assay Description
Inhibitory activity against HMG-CoA reductase from rat liver microsomal preparation |
J Med Chem 35: 3388-93 (1992)
Article DOI: 10.1021/jm00096a015
BindingDB Entry DOI: 10.7270/Q2HD7W9V |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50004776
(CHEMBL323880 | Sodium; 3,5-dihydroxy-7-[6-hydroxy-...)Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C[C@@H]2C=C[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC([O-])=O)[C@@H]12 Show InChI InChI=1S/C23H38O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,13-20,22,24-26H,4,7-12H2,1-3H3,(H,27,28)/p-1/t13-,14-,15-,16-,17+,18-,19-,20-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
British Bio-technology Limited
Curated by ChEMBL
| Assay Description
Inhibitory activity against HMG-CoA reductase from rat liver microsomal preparation |
J Med Chem 35: 3388-93 (1992)
Article DOI: 10.1021/jm00096a015
BindingDB Entry DOI: 10.7270/Q2HD7W9V |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)
(Homo sapiens (Human)) | BDBM50406129
(CHEMBL175236)Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12 Show InChI InChI=1S/C24H38O6/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28/h6-7,10,14-16,18-21,23,25-26H,5,8-9,11-13H2,1-4H3,(H,27,28)/p-1/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
antibodypedia
GoogleScholar
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
British Bio-technology Limited
Curated by ChEMBL
| Assay Description
Concentration required to inhibit HMG-CoA reductase by 50% was determined in Hep G2 cell line |
J Med Chem 35: 3388-93 (1992)
Article DOI: 10.1021/jm00096a015
BindingDB Entry DOI: 10.7270/Q2HD7W9V |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)
(Homo sapiens (Human)) | BDBM34168
(LOVASTATIN | MLS000069585 | SMR000058779 | US91151...)Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
antibodypedia
GoogleScholar
| Purchase
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
British Bio-technology Limited
Curated by ChEMBL
| Assay Description
Concentration required to inhibit HMG-CoA reductase by 50% was determined in Hep G2 cell line |
J Med Chem 35: 3388-93 (1992)
Article DOI: 10.1021/jm00096a015
BindingDB Entry DOI: 10.7270/Q2HD7W9V |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)
(Homo sapiens (Human)) | BDBM50004775
(2-Methyl-butyric acid 3-hydroxy-8-[2-(4-hydroxy-6-...)Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C[C@@H]2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12 Show InChI InChI=1S/C23H36O6/c1-4-13(2)23(27)29-20-11-16(24)9-15-6-5-14(3)19(22(15)20)8-7-18-10-17(25)12-21(26)28-18/h5-6,13-20,22,24-25H,4,7-12H2,1-3H3/t13-,14-,15-,16+,17+,18?,19-,20-,22-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
British Bio-technology Limited
Curated by ChEMBL
| Assay Description
Concentration required to inhibit HMG-CoA reductase by 50% was determined in Hep G2 cell line |
J Med Chem 35: 3388-93 (1992)
Article DOI: 10.1021/jm00096a015
BindingDB Entry DOI: 10.7270/Q2HD7W9V |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)
(Homo sapiens (Human)) | BDBM50004776
(CHEMBL323880 | Sodium; 3,5-dihydroxy-7-[6-hydroxy-...)Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C[C@@H]2C=C[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC([O-])=O)[C@@H]12 Show InChI InChI=1S/C23H38O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,13-20,22,24-26H,4,7-12H2,1-3H3,(H,27,28)/p-1/t13-,14-,15-,16-,17+,18-,19-,20-,22-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
antibodypedia
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
British Bio-technology Limited
Curated by ChEMBL
| Assay Description
Concentration required to inhibit HMG-CoA reductase by 50% was determined in Hep G2 cell line |
J Med Chem 35: 3388-93 (1992)
Article DOI: 10.1021/jm00096a015
BindingDB Entry DOI: 10.7270/Q2HD7W9V |
More data for this
Ligand-Target Pair | |
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