Found 75 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
(Homo sapiens (Human)) | BDBM50007272
(CHEMBL102168 | Sodium; 6-[4'-fluoro-5-(4-fluoro-ph...)Show SMILES CC(C)c1cc(Sc2ccc(F)cc2)cc(-c2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C27H28F2O5S/c1-16(2)24-13-23(35-22-9-7-19(29)8-10-22)14-25(17-3-5-18(28)6-4-17)27(24)34-15-21(31)11-20(30)12-26(32)33/h3-10,13-14,16,20-21,30-31H,11-12,15H2,1-2H3,(H,32,33)/p-1/t20-,21?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007295
(CHEMBL2367823 | Sodium; 7-[4-(4-fluoro-phenyl)-2,6...)Show SMILES [Na+].CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)C(C)(C)C Show InChI InChI=1S/C25H32FNO4.Na/c1-15(2)24-20(11-10-18(28)12-19(29)13-23(30)31)21(14-22(27-24)25(3,4)5)16-6-8-17(26)9-7-16;/h6-11,14-15,18-19,28-29H,12-13H2,1-5H3,(H,30,31);/q;+1/p-1/b11-10+;/t18-,19-;/m1./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | 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 | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50007303
(6-(4'-Fluoro-3,5-diisopropyl-biphenyl-2-yloxymethy...)Show SMILES CC(C)c1cc(C(C)C)c(OCC2C[C@@H](O)CC(=O)O2)c(c1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H29FO4/c1-14(2)17-9-21(15(3)4)24(22(10-17)16-5-7-18(25)8-6-16)28-13-20-11-19(26)12-23(27)29-20/h5-10,14-15,19-20,26H,11-13H2,1-4H3/t19-,20?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
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
| Purchase
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)) | BDBM50007255
(CHEMBL100165 | Sodium; 6-(4'-fluoro-3,5-diisopropy...)Show SMILES CC(C)c1cc(C(C)C)c(OCC(O)C[C@@H](O)CC([O-])=O)c(c1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H31FO5/c1-14(2)17-9-21(15(3)4)24(22(10-17)16-5-7-18(25)8-6-16)30-13-20(27)11-19(26)12-23(28)29/h5-10,14-15,19-20,26-27H,11-13H2,1-4H3,(H,28,29)/p-1/t19-,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007261
(CHEMBL102091 | Sodium; 7-[4-(4-fluoro-phenyl)-2-is...)Show SMILES CC(C)c1c(CCC(O)C[C@@H](O)CC([O-])=O)c(cn1-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H30FNO4/c1-17(2)26-23(13-12-21(29)14-22(30)15-25(31)32)24(18-8-10-19(27)11-9-18)16-28(26)20-6-4-3-5-7-20/h3-11,16-17,21-22,29-30H,12-15H2,1-2H3,(H,31,32)/p-1/t21?,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | 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 | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007293
(CHEMBL2367826 | Sodium; 7-[2-(4-fluoro-phenyl)-4-i...)Show SMILES [Na+].CC(C)c1cc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C27H28FNO4.Na/c1-17(2)24-16-25(18-6-4-3-5-7-18)29-27(19-8-10-20(28)11-9-19)23(24)13-12-21(30)14-22(31)15-26(32)33;/h3-13,16-17,21-22,30-31H,14-15H2,1-2H3,(H,32,33);/q;+1/p-1/b13-12+;/t21-,22-;/m1./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | 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 | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007281
(CHEMBL2367819 | Sodium; 7-[6-tert-butyl-4-(4-fluor...)Show SMILES [Na+].CC(C)c1cc(-c2ccc(F)cc2)c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(n1)C(C)C Show InChI InChI=1S/C24H30FNO4.Na/c1-14(2)22-13-21(16-5-7-17(25)8-6-16)20(24(26-22)15(3)4)10-9-18(27)11-19(28)12-23(29)30;/h5-10,13-15,18-19,27-28H,11-12H2,1-4H3,(H,29,30);/q;+1/p-1/b10-9+;/t18-,19-;/m1./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | 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 | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007277
(CHEMBL177545 | Sodium;6-(4'-Fluoro-6-hydroxy-2,4,5...)Show SMILES CC(C)c1c(O)c(-c2ccc(F)cc2)c(C(C)C)c(OC[C@@H](O)C[C@@H](O)CC([O-])=O)c1C(C)C Show InChI InChI=1S/C27H37FO6/c1-14(2)22-23(15(3)4)27(34-13-20(30)11-19(29)12-21(31)32)24(16(5)6)25(26(22)33)17-7-9-18(28)10-8-17/h7-10,14-16,19-20,29-30,33H,11-13H2,1-6H3,(H,31,32)/p-1/t19-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50007277
(CHEMBL177545 | Sodium;6-(4'-Fluoro-6-hydroxy-2,4,5...)Show SMILES CC(C)c1c(O)c(-c2ccc(F)cc2)c(C(C)C)c(OC[C@@H](O)C[C@@H](O)CC([O-])=O)c1C(C)C Show InChI InChI=1S/C27H37FO6/c1-14(2)22-23(15(3)4)27(34-13-20(30)11-19(29)12-21(31)32)24(16(5)6)25(26(22)33)17-7-9-18(28)10-8-17/h7-10,14-16,19-20,29-30,33H,11-13H2,1-6H3,(H,31,32)/p-1/t19-,20+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007297
(CHEMBL2367825 | Sodium; 7-(3,5-dichloro-4'-fluoro-...)Show SMILES [Na+].O[C@H](C[C@H](O)\C=C\c1c(Cl)cc(Cl)cc1-c1ccc(F)cc1)CC([O-])=O Show InChI InChI=1S/C19H17Cl2FO4.Na/c20-12-7-17(11-1-3-13(22)4-2-11)16(18(21)8-12)6-5-14(23)9-15(24)10-19(25)26;/h1-8,14-15,23-24H,9-10H2,(H,25,26);/q;+1/p-1/b6-5+;/t14-,15-;/m1./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.5 | 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 | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50007267
(CHEMBL321768 | Sodium; 6-(4'-fluoro-5-hydroxy-3,4,...)Show SMILES CC(C)c1c(O)c(C(C)C)c(-c2ccc(F)cc2)c(OCC(O)C[C@@H](O)CC([O-])=O)c1C(C)C Show InChI InChI=1S/C27H37FO6/c1-14(2)22-24(16(5)6)27(34-13-20(30)11-19(29)12-21(31)32)25(23(15(3)4)26(22)33)17-7-9-18(28)10-8-17/h7-10,14-16,19-20,29-30,33H,11-13H2,1-6H3,(H,31,32)/p-1/t19-,20?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007272
(CHEMBL102168 | Sodium; 6-[4'-fluoro-5-(4-fluoro-ph...)Show SMILES CC(C)c1cc(Sc2ccc(F)cc2)cc(-c2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C27H28F2O5S/c1-16(2)24-13-23(35-22-9-7-19(29)8-10-22)14-25(17-3-5-18(28)6-4-17)27(24)34-15-21(31)11-20(30)12-26(32)33/h3-10,13-14,16,20-21,30-31H,11-12,15H2,1-2H3,(H,32,33)/p-1/t20-,21?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | 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 |c:13,t:11| 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007268
(6-[4-{1-[4-[5-carboxylato-2,4-dihydroxy-(2R,4R)-pe...)Show SMILES CC(C)c1cc(SC(C)(C)Sc2cc(C(C)C)c(OC[C@H](O)C[C@@H](O)CC([O-])=O)c(c2)-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1OC[C@H](O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C45H54F2O10S2/c1-25(2)37-19-35(21-39(27-7-11-29(46)12-8-27)43(37)56-23-33(50)15-31(48)17-41(52)53)58-45(5,6)59-36-20-38(26(3)4)44(40(22-36)28-9-13-30(47)14-10-28)57-24-34(51)16-32(49)18-42(54)55/h7-14,19-22,25-26,31-34,48-51H,15-18,23-24H2,1-6H3,(H,52,53)(H,54,55)/p-2/t31-,32-,33-,34-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007299
(CHEMBL329307 | Sodium; 6-(4,4''-difluoro-5'-isopro...)Show SMILES CC(C)c1cc(cc(-c2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C27H28F2O5/c1-16(2)24-11-19(17-3-7-20(28)8-4-17)12-25(18-5-9-21(29)10-6-18)27(24)34-15-23(31)13-22(30)14-26(32)33/h3-12,16,22-23,30-31H,13-15H2,1-2H3,(H,32,33)/p-1/t22-,23?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007267
(CHEMBL321768 | Sodium; 6-(4'-fluoro-5-hydroxy-3,4,...)Show SMILES CC(C)c1c(O)c(C(C)C)c(-c2ccc(F)cc2)c(OCC(O)C[C@@H](O)CC([O-])=O)c1C(C)C Show InChI InChI=1S/C27H37FO6/c1-14(2)22-24(16(5)6)27(34-13-20(30)11-19(29)12-21(31)32)25(23(15(3)4)26(22)33)17-7-9-18(28)10-8-17/h7-10,14-16,19-20,29-30,33H,11-13H2,1-6H3,(H,31,32)/p-1/t19-,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007302
(CHEMBL101633 | Sodium; 6-(2,4-dichloro-6-cyclohexy...)Show SMILES OC(COc1c(Cl)cc(Cl)cc1CC1CCCCC1)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C19H26Cl2O5/c20-14-7-13(6-12-4-2-1-3-5-12)19(17(21)8-14)26-11-16(23)9-15(22)10-18(24)25/h7-8,12,15-16,22-23H,1-6,9-11H2,(H,24,25)/p-1/t15-,16?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50007255
(CHEMBL100165 | Sodium; 6-(4'-fluoro-3,5-diisopropy...)Show SMILES CC(C)c1cc(C(C)C)c(OCC(O)C[C@@H](O)CC([O-])=O)c(c1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H31FO5/c1-14(2)17-9-21(15(3)4)24(22(10-17)16-5-7-18(25)8-6-16)30-13-20(27)11-19(26)12-23(28)29/h5-10,14-15,19-20,26-27H,11-13H2,1-4H3,(H,28,29)/p-1/t19-,20?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007274
(CHEMBL101831 | Disodiumsalt;6-{4'-Fluoro-5-[1-(4'-...)Show SMILES CC(C)c1cc(SC(C)(C)Sc2cc(C(C)C)c(OCC(O)C[C@@H](O)CC([O-])=O)c(c2)-c2ccc(F)cc2)cc(c1[O-])-c1ccc(F)cc1 Show InChI InChI=1S/C39H44F2O6S2/c1-22(2)32-17-30(19-34(37(32)46)24-7-11-26(40)12-8-24)48-39(5,6)49-31-18-33(23(3)4)38(35(20-31)25-9-13-27(41)14-10-25)47-21-29(43)15-28(42)16-36(44)45/h7-14,17-20,22-23,28-29,42-43,46H,15-16,21H2,1-6H3,(H,44,45)/p-2/t28-,29?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007294
(CHEMBL101203 | Sodium; 7-[4-(4-fluoro-phenyl)-2-me...)Show SMILES Cc1c(CCC(O)C[C@@H](O)CC([O-])=O)c(cn1-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H26FNO4/c1-16-22(12-11-20(27)13-21(28)14-24(29)30)23(17-7-9-18(25)10-8-17)15-26(16)19-5-3-2-4-6-19/h2-10,15,20-21,27-28H,11-14H2,1H3,(H,29,30)/p-1/t20?,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 35 | 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 | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007300
(CHEMBL2367827 | Sodium; 7-[2-(4-fluoro-phenyl)-4-m...)Show SMILES [Na+].Cc1cc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C25H24FNO4.Na/c1-16-13-23(17-5-3-2-4-6-17)27-25(18-7-9-19(26)10-8-18)22(16)12-11-20(28)14-21(29)15-24(30)31;/h2-13,20-21,28-29H,14-15H2,1H3,(H,30,31);/q;+1/p-1/b12-11+;/t20-,21-;/m1./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 38 | 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 | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007271
(CHEMBL101497 | Sodium; 6-[2-(4-fluoro-phenyl)-4-is...)Show SMILES CC(C)c1c(OCC(O)C[C@@H](O)CC([O-])=O)c(nc2ccccc12)-c1ccc(F)cc1 Show InChI InChI=1S/C24H26FNO5/c1-14(2)22-19-5-3-4-6-20(19)26-23(15-7-9-16(25)10-8-15)24(22)31-13-18(28)11-17(27)12-21(29)30/h3-10,14,17-18,27-28H,11-13H2,1-2H3,(H,29,30)/p-1/t17-,18?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007269
(CHEMBL316712 | Sodium; 6-{4-chloro-2-[3-(4-chloro-...)Show SMILES Cc1cc(Cl)cc(CCCOc2ccc(Cl)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C22H26Cl2O6/c1-14-9-17(24)10-15(3-2-8-29-20-6-4-16(23)5-7-20)22(14)30-13-19(26)11-18(25)12-21(27)28/h4-7,9-10,18-19,25-26H,2-3,8,11-13H2,1H3,(H,27,28)/p-1/t18-,19?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(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 |c:13,t:11| 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
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50007299
(CHEMBL329307 | Sodium; 6-(4,4''-difluoro-5'-isopro...)Show SMILES CC(C)c1cc(cc(-c2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C27H28F2O5/c1-16(2)24-11-19(17-3-7-20(28)8-4-17)12-25(18-5-9-21(29)10-6-18)27(24)34-15-23(31)13-22(30)14-26(32)33/h3-12,16,22-23,30-31H,13-15H2,1-2H3,(H,32,33)/p-1/t22-,23?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007256
(CHEMBL420646 | Sodium; 6-{2-[bis-(4-fluoro-phenyl)...)Show SMILES Cc1cc(C)c(OCC(O)C[C@@H](O)CC([O-])=O)c(c1)C(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C27H28F2O5/c1-16-11-17(2)27(34-15-23(31)13-22(30)14-25(32)33)24(12-16)26(18-3-7-20(28)8-4-18)19-5-9-21(29)10-6-19/h3-12,22-23,26,30-31H,13-15H2,1-2H3,(H,32,33)/p-1/t22-,23?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007290
(CHEMBL100357 | Sodium; 6-{2-[bis-(4-fluoro-phenyl)...)Show SMILES Cc1cc(Cl)cc(C(c2ccc(F)cc2)c2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C26H25ClF2O5/c1-15-10-18(27)11-23(26(15)34-14-22(31)12-21(30)13-24(32)33)25(16-2-6-19(28)7-3-16)17-4-8-20(29)9-5-17/h2-11,21-22,25,30-31H,12-14H2,1H3,(H,32,33)/p-1/t21-,22?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007282
(CHEMBL101662 | Sodium; 6-(4-chloro-2-cyclohexylmet...)Show SMILES Cc1cc(Cl)cc(CC2CCCCC2)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C20H29ClO5/c1-13-7-16(21)9-15(8-14-5-3-2-4-6-14)20(13)26-12-18(23)10-17(22)11-19(24)25/h7,9,14,17-18,22-23H,2-6,8,10-12H2,1H3,(H,24,25)/p-1/t17-,18?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007305
(CHEMBL319983 | Sodium; 6-{4-chloro-2-[3-(4-fluoro-...)Show SMILES Cc1cc(Cl)cc(CCCOc2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C22H26ClFO6/c1-14-9-16(23)10-15(3-2-8-29-20-6-4-17(24)5-7-20)22(14)30-13-19(26)11-18(25)12-21(27)28/h4-7,9-10,18-19,25-26H,2-3,8,11-13H2,1H3,(H,27,28)/p-1/t18-,19?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007291
(CHEMBL321713 | Sodium; 6-[2,4-dichloro-6-(cyclohex...)Show SMILES OC(COc1c(Cl)cc(Cl)cc1C(F)(F)C1CCCCC1)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C19H24Cl2F2O5/c20-12-6-15(19(22,23)11-4-2-1-3-5-11)18(16(21)7-12)28-10-14(25)8-13(24)9-17(26)27/h6-7,11,13-14,24-25H,1-5,8-10H2,(H,26,27)/p-1/t13-,14?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007266
(CHEMBL100694 | Sodium; 6-{2-[(4-fluoro-phenyl)-(3-...)Show SMILES Cc1cc(C)c(OCC(O)C[C@@H](O)CC([O-])=O)c(c1)C(c1ccc(F)cc1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C28H28F4O5/c1-16-10-17(2)27(37-15-23(34)13-22(33)14-25(35)36)24(11-16)26(18-6-8-21(29)9-7-18)19-4-3-5-20(12-19)28(30,31)32/h3-12,22-23,26,33-34H,13-15H2,1-2H3,(H,35,36)/p-1/t22-,23?,26?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007253
(CHEMBL101512 | Sodium; 6-[2,4-dichloro-6-(cyclohex...)Show SMILES [#8]-[#6](-[#6]-[#8]-c1c(Cl)cc(Cl)cc1\[#6](F)=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O Show InChI InChI=1S/C19H23Cl2FO5/c20-12-6-15(18(22)11-4-2-1-3-5-11)19(16(21)7-12)27-10-14(24)8-13(23)9-17(25)26/h6-7,13-14,23-24H,1-5,8-10H2,(H,25,26)/p-1/t13-,14?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007279
(CHEMBL443275 | Sodium; 6-{2-[cyclohexyl-(4-fluoro-...)Show SMILES Cc1cc(C)c(OCC(O)C[C@@H](O)CC([O-])=O)c(c1)C(C1CCCCC1)c1ccc(F)cc1 Show InChI InChI=1S/C27H35FO5/c1-17-12-18(2)27(33-16-23(30)14-22(29)15-25(31)32)24(13-17)26(19-6-4-3-5-7-19)20-8-10-21(28)11-9-20/h8-13,19,22-23,26,29-30H,3-7,14-16H2,1-2H3,(H,31,32)/p-1/t22-,23?,26?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007273
(CHEMBL99834 | Sodium; 6-(2-cyclohexylmethyl-4,6-di...)Show SMILES Cc1cc(C)c(OCC(O)C[C@@H](O)CC([O-])=O)c(CC2CCCCC2)c1 Show InChI InChI=1S/C21H32O5/c1-14-8-15(2)21(17(9-14)10-16-6-4-3-5-7-16)26-13-19(23)11-18(22)12-20(24)25/h8-9,16,18-19,22-23H,3-7,10-13H2,1-2H3,(H,24,25)/p-1/t18-,19?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50007264
(CHEMBL99838 | Sodium; 6-(5-cyclohexylmethyl-3-isop...)Show SMILES CC(C)c1cc(cc(CC2CCCCC2)c1OCC(O)C[C@@H](O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C28H38O5/c1-19(2)26-15-22(21-11-7-4-8-12-21)14-23(13-20-9-5-3-6-10-20)28(26)33-18-25(30)16-24(29)17-27(31)32/h4,7-8,11-12,14-15,19-20,24-25,29-30H,3,5-6,9-10,13,16-18H2,1-2H3,(H,31,32)/p-1/t24-,25?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007306
(CHEMBL316938 | Sodium; 6-{2-[(4-fluoro-phenyl)-(4-...)Show SMILES COc1ccc(cc1)C(c1ccc(F)cc1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C28H31FO6/c1-17-12-18(2)28(35-16-23(31)14-22(30)15-26(32)33)25(13-17)27(19-4-8-21(29)9-5-19)20-6-10-24(34-3)11-7-20/h4-13,22-23,27,30-31H,14-16H2,1-3H3,(H,32,33)/p-1/t22-,23?,27?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007292
(CHEMBL101774 | Sodium; 6-{2-[1-(4-fluoro-phenyl)-3...)Show SMILES CC(C)CC(c1ccc(F)cc1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C25H33FO5/c1-15(2)9-22(18-5-7-19(26)8-6-18)23-11-16(3)10-17(4)25(23)31-14-21(28)12-20(27)13-24(29)30/h5-8,10-11,15,20-22,27-28H,9,12-14H2,1-4H3,(H,29,30)/p-1/t20-,21?,22?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007263
(CHEMBL317576 | Sodium; 6-{2,4-dichloro-6-[3-(4-flu...)Show SMILES OC(COc1c(Cl)cc(Cl)cc1C(CCOc1ccc(F)cc1)c1ccc(F)cc1)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C27H26Cl2F2O6/c28-17-11-24(27(25(29)12-17)37-15-21(33)13-20(32)14-26(34)35)23(16-1-3-18(30)4-2-16)9-10-36-22-7-5-19(31)6-8-22/h1-8,11-12,20-21,23,32-33H,9-10,13-15H2,(H,34,35)/p-1/t20-,21?,23?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007280
(CHEMBL100560 | Sodium; 6-{2-[1-(4-fluoro-phenyl)-e...)Show SMILES CC(c1ccc(F)cc1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C22H27FO5/c1-13-8-14(2)22(28-12-19(25)10-18(24)11-21(26)27)20(9-13)15(3)16-4-6-17(23)7-5-16/h4-9,15,18-19,24-25H,10-12H2,1-3H3,(H,26,27)/p-1/t15?,18-,19?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007307
(CHEMBL101806 | Sodium; 6-(2,4-dichloro-6-cyclohexa...)Show SMILES OC(COc1c(Cl)cc(Cl)cc1C(=O)C1CCCCC1)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C19H24Cl2O6/c20-12-6-15(18(26)11-4-2-1-3-5-11)19(16(21)7-12)27-10-14(23)8-13(22)9-17(24)25/h6-7,11,13-14,22-23H,1-5,8-10H2,(H,24,25)/p-1/t13-,14?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007270
(CHEMBL101718 | Sodium; 6-(3,5-dichloro-biphenyl-2-...)Show SMILES OC(COc1c(Cl)cc(Cl)cc1-c1ccccc1)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C18H18Cl2O5/c19-12-6-15(11-4-2-1-3-5-11)18(16(20)7-12)25-10-14(22)8-13(21)9-17(23)24/h1-7,13-14,21-22H,8-10H2,(H,23,24)/p-1/t13-,14?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50007271
(CHEMBL101497 | Sodium; 6-[2-(4-fluoro-phenyl)-4-is...)Show SMILES CC(C)c1c(OCC(O)C[C@@H](O)CC([O-])=O)c(nc2ccccc12)-c1ccc(F)cc1 Show InChI InChI=1S/C24H26FNO5/c1-14(2)22-19-5-3-4-6-20(19)26-23(15-7-9-16(25)10-8-15)24(22)31-13-18(28)11-17(27)12-21(29)30/h3-10,14,17-18,27-28H,11-13H2,1-2H3,(H,29,30)/p-1/t17-,18?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007259
(CHEMBL316899 | Sodium; 6-{2-[3-(4-fluoro-phenoxy)-...)Show SMILES Cc1cccc(CCCOc2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C22H27FO6/c1-15-4-2-5-16(6-3-11-28-20-9-7-17(23)8-10-20)22(15)29-14-19(25)12-18(24)13-21(26)27/h2,4-5,7-10,18-19,24-25H,3,6,11-14H2,1H3,(H,26,27)/p-1/t18-,19?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007262
(CHEMBL330662 | Sodium; 6-[2,4-dichloro-5-(4-fluoro...)Show SMILES OC(COc1cc(OCc2ccc(F)cc2)c(Cl)cc1Cl)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C19H19Cl2FO6/c20-15-7-16(21)18(28-10-14(24)5-13(23)6-19(25)26)8-17(15)27-9-11-1-3-12(22)4-2-11/h1-4,7-8,13-14,23-24H,5-6,9-10H2,(H,25,26)/p-1/t13-,14?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007278
(CHEMBL103712 | Sodium; 6-{2-[bis-(4-fluoro-3-methy...)Show SMILES Cc1cc(Cl)c(OCC(O)C[C@@H](O)CC([O-])=O)c(c1)C(c1ccc(F)c(C)c1)c1ccc(F)c(C)c1 Show InChI InChI=1S/C28H29ClF2O5/c1-15-8-22(28(23(29)9-15)36-14-21(33)12-20(32)13-26(34)35)27(18-4-6-24(30)16(2)10-18)19-5-7-25(31)17(3)11-19/h4-11,20-21,27,32-33H,12-14H2,1-3H3,(H,34,35)/p-1/t20-,21?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007284
(CHEMBL101600 | Sodium; 6-{2-[cyclohexyl-(2,2-dimet...)Show SMILES CCC(C)(C)C(=O)NC(C1CCCCC1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C27H43NO6/c1-6-27(4,5)26(33)28-24(19-10-8-7-9-11-19)22-13-17(2)12-18(3)25(22)34-16-21(30)14-20(29)15-23(31)32/h12-13,19-21,24,29-30H,6-11,14-16H2,1-5H3,(H,28,33)(H,31,32)/p-1/t20-,21?,24?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007284
(CHEMBL101600 | Sodium; 6-{2-[cyclohexyl-(2,2-dimet...)Show SMILES CCC(C)(C)C(=O)NC(C1CCCCC1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C27H43NO6/c1-6-27(4,5)26(33)28-24(19-10-8-7-9-11-19)22-13-17(2)12-18(3)25(22)34-16-21(30)14-20(29)15-23(31)32/h12-13,19-21,24,29-30H,6-11,14-16H2,1-5H3,(H,28,33)(H,31,32)/p-1/t20-,21?,24?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007285
(CHEMBL317142 | Sodium; 6-{3-[bis-(4-fluoro-phenyl)...)Show SMILES CC(C)c1c(OCC(O)C[C@@H](O)CC([O-])=O)c(cc2ccccc12)C(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C32H32F2O5/c1-19(2)30-27-6-4-3-5-22(27)15-28(32(30)39-18-26(36)16-25(35)17-29(37)38)31(20-7-11-23(33)12-8-20)21-9-13-24(34)14-10-21/h3-15,19,25-26,31,35-36H,16-18H2,1-2H3,(H,37,38)/p-1/t25-,26?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007264
(CHEMBL99838 | Sodium; 6-(5-cyclohexylmethyl-3-isop...)Show SMILES CC(C)c1cc(cc(CC2CCCCC2)c1OCC(O)C[C@@H](O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C28H38O5/c1-19(2)26-15-22(21-11-7-4-8-12-21)14-23(13-20-9-5-3-6-10-20)28(26)33-18-25(30)16-24(29)17-27(31)32/h4,7-8,11-12,14-15,19-20,24-25,29-30H,3,5-6,9-10,13,16-18H2,1-2H3,(H,31,32)/p-1/t24-,25?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007275
(CHEMBL317777 | Sodium; 6-(5-tert-butyl-4'-fluoro-3...)Show SMILES CC(C)c1cc(cc(-c2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O)C(C)(C)C Show InChI InChI=1S/C25H33FO5/c1-15(2)21-10-17(25(3,4)5)11-22(16-6-8-18(26)9-7-16)24(21)31-14-20(28)12-19(27)13-23(29)30/h6-11,15,19-20,27-28H,12-14H2,1-5H3,(H,29,30)/p-1/t19-,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50007275
(CHEMBL317777 | Sodium; 6-(5-tert-butyl-4'-fluoro-3...)Show SMILES CC(C)c1cc(cc(-c2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O)C(C)(C)C Show InChI InChI=1S/C25H33FO5/c1-15(2)21-10-17(25(3,4)5)11-22(16-6-8-18(26)9-7-16)24(21)31-14-20(28)12-19(27)13-23(29)30/h6-11,15,19-20,27-28H,12-14H2,1-5H3,(H,29,30)/p-1/t19-,20?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >500 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007257
(CHEMBL323344 | Sodium; 6-{2-[cyclohexyl-(1,1-dimet...)Show SMILES CCC(C)(C)OC(=O)C(C1CCCCC1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C27H42O7/c1-6-27(4,5)34-26(32)24(19-10-8-7-9-11-19)22-13-17(2)12-18(3)25(22)33-16-21(29)14-20(28)15-23(30)31/h12-13,19-21,24,28-29H,6-11,14-16H2,1-5H3,(H,30,31)/p-1/t20-,21?,24?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007257
(CHEMBL323344 | Sodium; 6-{2-[cyclohexyl-(1,1-dimet...)Show SMILES CCC(C)(C)OC(=O)C(C1CCCCC1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C27H42O7/c1-6-27(4,5)34-26(32)24(19-10-8-7-9-11-19)22-13-17(2)12-18(3)25(22)33-16-21(29)14-20(28)15-23(30)31/h12-13,19-21,24,28-29H,6-11,14-16H2,1-5H3,(H,30,31)/p-1/t20-,21?,24?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007301
(CHEMBL102199 | Sodium; 6-{3-[bis-(4-fluoro-phenyl)...)Show SMILES Cc1c(OCC(O)C[C@@H](O)CC([O-])=O)c(cc2ccccc12)C(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C30H28F2O5/c1-18-26-5-3-2-4-21(26)14-27(30(18)37-17-25(34)15-24(33)16-28(35)36)29(19-6-10-22(31)11-7-19)20-8-12-23(32)13-9-20/h2-14,24-25,29,33-34H,15-17H2,1H3,(H,35,36)/p-1/t24-,25?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007289
(CHEMBL100721 | Sodium; 6-{2-[bis-(4-fluoro-phenyl)...)Show SMILES OC(COc1c(Cl)cc(Cl)cc1C(c1ccc(F)cc1)c1ccc(F)cc1)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C25H22Cl2F2O5/c26-16-9-21(25(22(27)10-16)34-13-20(31)11-19(30)12-23(32)33)24(14-1-5-17(28)6-2-14)15-3-7-18(29)8-4-15/h1-10,19-20,24,30-31H,11-13H2,(H,32,33)/p-1/t19-,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007289
(CHEMBL100721 | Sodium; 6-{2-[bis-(4-fluoro-phenyl)...)Show SMILES OC(COc1c(Cl)cc(Cl)cc1C(c1ccc(F)cc1)c1ccc(F)cc1)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C25H22Cl2F2O5/c26-16-9-21(25(22(27)10-16)34-13-20(31)11-19(30)12-23(32)33)24(14-1-5-17(28)6-2-14)15-3-7-18(29)8-4-15/h1-10,19-20,24,30-31H,11-13H2,(H,32,33)/p-1/t19-,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007265
(CHEMBL102112 | Sodium; 3,5-dihydroxy-6-(2-methyl-4...)Show SMILES Cc1nc2ccccc2c(-c2ccccc2)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C22H23NO5/c1-14-22(28-13-17(25)11-16(24)12-20(26)27)21(15-7-3-2-4-8-15)18-9-5-6-10-19(18)23-14/h2-10,16-17,24-25H,11-13H2,1H3,(H,26,27)/p-1/t16-,17?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007254
(CHEMBL103139 | Sodium; 6-[2-(4-fluoro-phenyl)-4-me...)Show SMILES Cc1c(OCC(O)C[C@@H](O)CC([O-])=O)c(nc2ccccc12)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22FNO5/c1-13-18-4-2-3-5-19(18)24-21(14-6-8-15(23)9-7-14)22(13)29-12-17(26)10-16(25)11-20(27)28/h2-9,16-17,25-26H,10-12H2,1H3,(H,27,28)/p-1/t16-,17?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007287
(CHEMBL317726 | Sodium; 6-{2-cyclopentyl-6-[3-(4-fl...)Show SMILES OC(COc1c(CCCOc2ccc(F)cc2)cccc1C1CCCC1)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C26H33FO6/c27-20-10-12-23(13-11-20)32-14-4-8-19-7-3-9-24(18-5-1-2-6-18)26(19)33-17-22(29)15-21(28)16-25(30)31/h3,7,9-13,18,21-22,28-29H,1-2,4-6,8,14-17H2,(H,30,31)/p-1/t21-,22?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007252
(CHEMBL100884 | Sodium; 6-{4-chloro-2-cyclopentyl-6...)Show SMILES OC(COc1c(CCCOc2ccc(F)cc2)cc(Cl)cc1C1CCCC1)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C26H32ClFO6/c27-19-12-18(6-3-11-33-23-9-7-20(28)8-10-23)26(24(13-19)17-4-1-2-5-17)34-16-22(30)14-21(29)15-25(31)32/h7-10,12-13,17,21-22,29-30H,1-6,11,14-16H2,(H,31,32)/p-1/t21-,22?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007258
(6-[2-(Chloro-cyclohexyl-methyl)-4,6-dimethyl-pheno...)Show SMILES Cc1cc(C)c(OCC2C[C@@H](O)CC(=O)O2)c(c1)C(Cl)C1CCCCC1 Show InChI InChI=1S/C21H29ClO4/c1-13-8-14(2)21(25-12-17-10-16(23)11-19(24)26-17)18(9-13)20(22)15-6-4-3-5-7-15/h8-9,15-17,20,23H,3-7,10-12H2,1-2H3/t16-,17?,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50007268
(6-[4-{1-[4-[5-carboxylato-2,4-dihydroxy-(2R,4R)-pe...)Show SMILES CC(C)c1cc(SC(C)(C)Sc2cc(C(C)C)c(OC[C@H](O)C[C@@H](O)CC([O-])=O)c(c2)-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1OC[C@H](O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C45H54F2O10S2/c1-25(2)37-19-35(21-39(27-7-11-29(46)12-8-27)43(37)56-23-33(50)15-31(48)17-41(52)53)58-45(5,6)59-36-20-38(26(3)4)44(40(22-36)28-9-13-30(47)14-10-28)57-24-34(51)16-32(49)18-42(54)55/h7-14,19-22,25-26,31-34,48-51H,15-18,23-24H2,1-6H3,(H,52,53)(H,54,55)/p-2/t31-,32-,33-,34-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50007298
(CHEMBL101097 | Sodium; 6-{2-[bis-(4-fluoro-3-methy...)Show SMILES Cc1cc(ccc1F)C(c1ccc(F)c(C)c1)c1cc(Cl)cc(Cl)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C27H26Cl2F2O5/c1-14-7-16(3-5-23(14)30)26(17-4-6-24(31)15(2)8-17)21-9-18(28)10-22(29)27(21)36-13-20(33)11-19(32)12-25(34)35/h3-10,19-20,26,32-33H,11-13H2,1-2H3,(H,34,35)/p-1/t19-,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50007257
(CHEMBL323344 | Sodium; 6-{2-[cyclohexyl-(1,1-dimet...)Show SMILES CCC(C)(C)OC(=O)C(C1CCCCC1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C27H42O7/c1-6-27(4,5)34-26(32)24(19-10-8-7-9-11-19)22-13-17(2)12-18(3)25(22)33-16-21(29)14-20(28)15-23(30)31/h12-13,19-21,24,28-29H,6-11,14-16H2,1-5H3,(H,30,31)/p-1/t20-,21?,24?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50007274
(CHEMBL101831 | Disodiumsalt;6-{4'-Fluoro-5-[1-(4'-...)Show SMILES CC(C)c1cc(SC(C)(C)Sc2cc(C(C)C)c(OCC(O)C[C@@H](O)CC([O-])=O)c(c2)-c2ccc(F)cc2)cc(c1[O-])-c1ccc(F)cc1 Show InChI InChI=1S/C39H44F2O6S2/c1-22(2)32-17-30(19-34(37(32)46)24-7-11-26(40)12-8-24)48-39(5,6)49-31-18-33(23(3)4)38(35(20-31)25-9-13-27(41)14-10-25)47-21-29(43)15-28(42)16-36(44)45/h7-14,17-20,22-23,28-29,42-43,46H,15-16,21H2,1-6H3,(H,44,45)/p-2/t28-,29?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50007257
(CHEMBL323344 | Sodium; 6-{2-[cyclohexyl-(1,1-dimet...)Show SMILES CCC(C)(C)OC(=O)C(C1CCCCC1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C27H42O7/c1-6-27(4,5)34-26(32)24(19-10-8-7-9-11-19)22-13-17(2)12-18(3)25(22)33-16-21(29)14-20(28)15-23(30)31/h12-13,19-21,24,28-29H,6-11,14-16H2,1-5H3,(H,30,31)/p-1/t20-,21?,24?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50007291
(CHEMBL321713 | Sodium; 6-[2,4-dichloro-6-(cyclohex...)Show SMILES OC(COc1c(Cl)cc(Cl)cc1C(F)(F)C1CCCCC1)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C19H24Cl2F2O5/c20-12-6-15(19(22,23)11-4-2-1-3-5-11)18(16(21)7-12)28-10-14(25)8-13(24)9-17(26)27/h6-7,11,13-14,24-25H,1-5,8-10H2,(H,26,27)/p-1/t13-,14?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50007285
(CHEMBL317142 | Sodium; 6-{3-[bis-(4-fluoro-phenyl)...)Show SMILES CC(C)c1c(OCC(O)C[C@@H](O)CC([O-])=O)c(cc2ccccc12)C(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C32H32F2O5/c1-19(2)30-27-6-4-3-5-22(27)15-28(32(30)39-18-26(36)16-25(35)17-29(37)38)31(20-7-11-23(33)12-8-20)21-9-13-24(34)14-10-21/h3-15,19,25-26,31,35-36H,16-18H2,1-2H3,(H,37,38)/p-1/t25-,26?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50007254
(CHEMBL103139 | Sodium; 6-[2-(4-fluoro-phenyl)-4-me...)Show SMILES Cc1c(OCC(O)C[C@@H](O)CC([O-])=O)c(nc2ccccc12)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22FNO5/c1-13-18-4-2-3-5-19(18)24-21(14-6-8-15(23)9-7-14)22(13)29-12-17(26)10-16(25)11-20(27)28/h2-9,16-17,25-26H,10-12H2,1H3,(H,27,28)/p-1/t16-,17?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50007265
(CHEMBL102112 | Sodium; 3,5-dihydroxy-6-(2-methyl-4...)Show SMILES Cc1nc2ccccc2c(-c2ccccc2)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C22H23NO5/c1-14-22(28-13-17(25)11-16(24)12-20(26)27)21(15-7-3-2-4-8-15)18-9-5-6-10-19(18)23-14/h2-10,16-17,24-25H,11-13H2,1H3,(H,26,27)/p-1/t16-,17?/m1/s1 | PDB
UniProtKB/SwissProt
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AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50007258
(6-[2-(Chloro-cyclohexyl-methyl)-4,6-dimethyl-pheno...)Show SMILES Cc1cc(C)c(OCC2C[C@@H](O)CC(=O)O2)c(c1)C(Cl)C1CCCCC1 Show InChI InChI=1S/C21H29ClO4/c1-13-8-14(2)21(25-12-17-10-16(23)11-19(24)26-17)18(9-13)20(22)15-6-4-3-5-7-15/h8-9,15-17,20,23H,3-7,10-12H2,1-2H3/t16-,17?,20?/m1/s1 | PDB
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50007284
(CHEMBL101600 | Sodium; 6-{2-[cyclohexyl-(2,2-dimet...)Show SMILES CCC(C)(C)C(=O)NC(C1CCCCC1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C27H43NO6/c1-6-27(4,5)26(33)28-24(19-10-8-7-9-11-19)22-13-17(2)12-18(3)25(22)34-16-21(30)14-20(29)15-23(31)32/h12-13,19-21,24,29-30H,6-11,14-16H2,1-5H3,(H,28,33)(H,31,32)/p-1/t20-,21?,24?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50007284
(CHEMBL101600 | Sodium; 6-{2-[cyclohexyl-(2,2-dimet...)Show SMILES CCC(C)(C)C(=O)NC(C1CCCCC1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C27H43NO6/c1-6-27(4,5)26(33)28-24(19-10-8-7-9-11-19)22-13-17(2)12-18(3)25(22)34-16-21(30)14-20(29)15-23(31)32/h12-13,19-21,24,29-30H,6-11,14-16H2,1-5H3,(H,28,33)(H,31,32)/p-1/t20-,21?,24?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50007301
(CHEMBL102199 | Sodium; 6-{3-[bis-(4-fluoro-phenyl)...)Show SMILES Cc1c(OCC(O)C[C@@H](O)CC([O-])=O)c(cc2ccccc12)C(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C30H28F2O5/c1-18-26-5-3-2-4-21(26)14-27(30(18)37-17-25(34)15-24(33)16-28(35)36)29(19-6-10-22(31)11-7-19)20-8-12-23(32)13-9-20/h2-14,24-25,29,33-34H,15-17H2,1H3,(H,35,36)/p-1/t24-,25?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells. |
J Med Chem 34: 2962-83 (1991)
BindingDB Entry DOI: 10.7270/Q2C829WX |
More data for this
Ligand-Target Pair | |
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