Found 48 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)) | BDBM50014828
((E)-6-{2-[2,4-Bis-(4-fluoro-phenyl)-6-isopropyl-py...)Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H24F2N2O3/c1-15(2)24-22(12-11-21-13-20(31)14-23(32)33-21)25(16-3-7-18(27)8-4-16)30-26(29-24)17-5-9-19(28)10-6-17/h3-12,15,20-21,31H,13-14H2,1-2H3/b12-11+/t20-,21-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
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
Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles... |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50014820
((E)-6-{2-[2-Cyclohexyl-4-(4-fluoro-phenyl)-6-isopr...)Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)C1CCCCC1 Show InChI InChI=1S/C26H31FN2O3/c1-16(2)24-22(13-12-21-14-20(30)15-23(31)32-21)25(17-8-10-19(27)11-9-17)29-26(28-24)18-6-4-3-5-7-18/h8-13,16,18,20-21,30H,3-7,14-15H2,1-2H3/b13-12+/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50014828
((E)-6-{2-[2,4-Bis-(4-fluoro-phenyl)-6-isopropyl-py...)Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H24F2N2O3/c1-15(2)24-22(12-11-21-13-20(31)14-23(32)33-21)25(16-3-7-18(27)8-4-16)30-26(29-24)17-5-9-19(28)10-6-17/h3-12,15,20-21,31H,13-14H2,1-2H3/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50014840
((E)-6-{2-[4-(4-Fluoro-phenyl)-2,6-diisopropyl-pyri...)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)C(C)(C)C Show InChI InChI=1S/C25H30FNO3/c1-15(2)24-20(11-10-19-12-18(28)13-23(29)30-19)21(14-22(27-24)25(3,4)5)16-6-8-17(26)9-7-16/h6-11,14-15,18-19,28H,12-13H2,1-5H3/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 rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50014820
((E)-6-{2-[2-Cyclohexyl-4-(4-fluoro-phenyl)-6-isopr...)Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)C1CCCCC1 Show InChI InChI=1S/C26H31FN2O3/c1-16(2)24-22(13-12-21-14-20(30)15-23(31)32-21)25(17-8-10-19(27)11-9-17)29-26(28-24)18-6-4-3-5-7-18/h8-13,16,18,20-21,30H,3-7,14-15H2,1-2H3/b13-12+/t20-,21-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
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
Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles... |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50014826
((E)-6-{2-[4,6-Bis-(4-fluoro-phenyl)-2-isopropyl-py...)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2NO3/c1-16(2)27-23(12-11-22-13-21(31)14-26(32)33-22)24(17-3-7-19(28)8-4-17)15-25(30-27)18-5-9-20(29)10-6-18/h3-12,15-16,21-22,31H,13-14H2,1-2H3/b12-11+/t21-,22-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles... |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50014826
((E)-6-{2-[4,6-Bis-(4-fluoro-phenyl)-2-isopropyl-py...)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2NO3/c1-16(2)27-23(12-11-22-13-21(31)14-26(32)33-22)24(17-3-7-19(28)8-4-17)15-25(30-27)18-5-9-20(29)10-6-18/h3-12,15-16,21-22,31H,13-14H2,1-2H3/b12-11+/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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50014816
(6-{2-[2-Ethyl-4-(4-fluoro-phenyl)-6-phenyl-pyridin...)Show SMILES CCc1nc(cc(-c2ccc(F)cc2)c1CCC1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C26H26FNO3/c1-2-24-22(13-12-21-14-20(29)15-26(30)31-21)23(17-8-10-19(27)11-9-17)16-25(28-24)18-6-4-3-5-7-18/h3-11,16,20-21,29H,2,12-15H2,1H3/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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50014819
((E)-6-{2-[6-tert-Butyl-4-(4-fluoro-phenyl)-2-isopr...)Show SMILES CC(C)c1cc(-c2ccc(F)cc2)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(n1)C(C)C Show InChI InChI=1S/C24H28FNO3/c1-14(2)22-13-21(16-5-7-17(25)8-6-16)20(24(26-22)15(3)4)10-9-19-11-18(27)12-23(28)29-19/h5-10,13-15,18-19,27H,11-12H2,1-4H3/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 rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50014841
((E)-6-{2-[2-tert-Butyl-4-(4-fluoro-phenyl)-6-pheny...)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C27H26FNO3/c1-17(2)27-23(13-12-22-14-21(30)15-26(31)32-22)24(18-8-10-20(28)11-9-18)16-25(29-27)19-6-4-3-5-7-19/h3-13,16-17,21-22,30H,14-15H2,1-2H3/b13-12+/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 rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50014831
((E)-6-{2-[6-Cyclohexyl-4-(4-fluoro-phenyl)-2-isopr...)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)C1CCCCC1 Show InChI InChI=1S/C27H32FNO3/c1-17(2)27-23(13-12-22-14-21(30)15-26(31)32-22)24(18-8-10-20(28)11-9-18)16-25(29-27)19-6-4-3-5-7-19/h8-13,16-17,19,21-22,30H,3-7,14-15H2,1-2H3/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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50014831
((E)-6-{2-[6-Cyclohexyl-4-(4-fluoro-phenyl)-2-isopr...)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)C1CCCCC1 Show InChI InChI=1S/C27H32FNO3/c1-17(2)27-23(13-12-22-14-21(30)15-26(31)32-22)24(18-8-10-20(28)11-9-18)16-25(29-27)19-6-4-3-5-7-19/h8-13,16-17,19,21-22,30H,3-7,14-15H2,1-2H3/b13-12+/t21-,22-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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
Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles... |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50014837
((E)-6-{2-[4-(4-Fluoro-phenyl)-2,6-diisopropyl-pyri...)Show SMILES CC(C)c1nc(C(C)C)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H27FN2O3/c1-13(2)21-19(10-9-18-11-17(27)12-20(28)29-18)22(26-23(25-21)14(3)4)15-5-7-16(24)8-6-15/h5-10,13-14,17-18,27H,11-12H2,1-4H3/b10-9+/t17-,18-/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 | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50014837
((E)-6-{2-[4-(4-Fluoro-phenyl)-2,6-diisopropyl-pyri...)Show SMILES CC(C)c1nc(C(C)C)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H27FN2O3/c1-13(2)21-19(10-9-18-11-17(27)12-20(28)29-18)22(26-23(25-21)14(3)4)15-5-7-16(24)8-6-15/h5-10,13-14,17-18,27H,11-12H2,1-4H3/b10-9+/t17-,18-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles... |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50014835
((E)-6-{2-[6-(2,5-Dimethyl-phenyl)-4-(4-fluoro-phen...)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1cc(C)ccc1C Show InChI InChI=1S/C29H30FNO3/c1-17(2)29-24(12-11-23-14-22(32)15-28(33)34-23)26(20-7-9-21(30)10-8-20)16-27(31-29)25-13-18(3)5-6-19(25)4/h5-13,16-17,22-23,32H,14-15H2,1-4H3/b12-11+/t22-,23-/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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50014835
((E)-6-{2-[6-(2,5-Dimethyl-phenyl)-4-(4-fluoro-phen...)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1cc(C)ccc1C Show InChI InChI=1S/C29H30FNO3/c1-17(2)29-24(12-11-23-14-22(32)15-28(33)34-23)26(20-7-9-21(30)10-8-20)16-27(31-29)25-13-18(3)5-6-19(25)4/h5-13,16-17,22-23,32H,14-15H2,1-4H3/b12-11+/t22-,23-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles... |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50014841
((E)-6-{2-[2-tert-Butyl-4-(4-fluoro-phenyl)-6-pheny...)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C27H26FNO3/c1-17(2)27-23(13-12-22-14-21(30)15-26(31)32-22)24(18-8-10-20(28)11-9-18)16-25(29-27)19-6-4-3-5-7-19/h3-13,16-17,21-22,30H,14-15H2,1-2H3/b13-12+/t21-,22-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles... |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50014821
((E)-6-{2-[4-(4-Fluoro-phenyl)-6-isopropyl-2-phenyl...)Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C26H25FN2O3/c1-16(2)24-22(13-12-21-14-20(30)15-23(31)32-21)25(17-8-10-19(27)11-9-17)29-26(28-24)18-6-4-3-5-7-18/h3-13,16,20-21,30H,14-15H2,1-2H3/b13-12+/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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50014821
((E)-6-{2-[4-(4-Fluoro-phenyl)-6-isopropyl-2-phenyl...)Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C26H25FN2O3/c1-16(2)24-22(13-12-21-14-20(30)15-23(31)32-21)25(17-8-10-19(27)11-9-17)29-26(28-24)18-6-4-3-5-7-18/h3-13,16,20-21,30H,14-15H2,1-2H3/b13-12+/t20-,21-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles... |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
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 rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50014829
((E)-6-{2-[6-(3,5-Dimethyl-phenyl)-4-(4-fluoro-phen...)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C29H30FNO3/c1-17(2)29-25(10-9-24-14-23(32)15-28(33)34-24)26(20-5-7-22(30)8-6-20)16-27(31-29)21-12-18(3)11-19(4)13-21/h5-13,16-17,23-24,32H,14-15H2,1-4H3/b10-9+/t23-,24-/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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50014836
((E)-6-{2-[4-(4-Fluoro-phenyl)-2-isopropyl-6-methyl...)Show SMILES CC(C)c1nc(C)cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1 Show InChI InChI=1S/C22H24FNO3/c1-13(2)22-19(9-8-18-11-17(25)12-21(26)27-18)20(10-14(3)24-22)15-4-6-16(23)7-5-15/h4-10,13,17-18,25H,11-12H2,1-3H3/b9-8+/t17-,18-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles... |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50014836
((E)-6-{2-[4-(4-Fluoro-phenyl)-2-isopropyl-6-methyl...)Show SMILES CC(C)c1nc(C)cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1 Show InChI InChI=1S/C22H24FNO3/c1-13(2)22-19(9-8-18-11-17(25)12-21(26)27-18)20(10-14(3)24-22)15-4-6-16(23)7-5-15/h4-10,13,17-18,25H,11-12H2,1-3H3/b9-8+/t17-,18-/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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50014839
((E)-6-{2-[2-(4-Fluoro-phenyl)-4-isopropyl-6-phenyl...)Show SMILES CC(C)c1cc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C27H26FNO3/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)13-12-22-14-21(30)15-26(31)32-22/h3-13,16-17,21-22,30H,14-15H2,1-2H3/b13-12+/t21-,22-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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
Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles... |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50014839
((E)-6-{2-[2-(4-Fluoro-phenyl)-4-isopropyl-6-phenyl...)Show SMILES CC(C)c1cc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C27H26FNO3/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)13-12-22-14-21(30)15-26(31)32-22/h3-13,16-17,21-22,30H,14-15H2,1-2H3/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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50014838
((E)-6-{2-[4-(4-Fluoro-phenyl)-2-isopropyl-6-phenyl...)Show SMILES CC(C)(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C28H28FNO3/c1-28(2,3)27-23(14-13-22-15-21(31)16-26(32)33-22)24(18-9-11-20(29)12-10-18)17-25(30-27)19-7-5-4-6-8-19/h4-14,17,21-22,31H,15-16H2,1-3H3/b14-13+/t21-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50014834
(6-{2-[4-(4-Fluoro-phenyl)-2-isopropyl-6-phenyl-pyr...)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1CCC1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C27H28FNO3/c1-17(2)27-23(13-12-22-14-21(30)15-26(31)32-22)24(18-8-10-20(28)11-9-18)16-25(29-27)19-6-4-3-5-7-19/h3-11,16-17,21-22,30H,12-15H2,1-2H3/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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50014840
((E)-6-{2-[4-(4-Fluoro-phenyl)-2,6-diisopropyl-pyri...)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)C(C)(C)C Show InChI InChI=1S/C25H30FNO3/c1-15(2)24-20(11-10-19-12-18(28)13-23(29)30-19)21(14-22(27-24)25(3,4)5)16-6-8-17(26)9-7-16/h6-11,14-15,18-19,28H,12-13H2,1-5H3/b11-10+/t18-,19-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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
Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles... |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50014818
((E)-6-{2-[2-Cyclohexyl-4-(4-fluoro-phenyl)-6-pheny...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(nc(cc1-c1ccc(F)cc1)-c1ccccc1)C1CCCCC1 Show InChI InChI=1S/C30H30FNO3/c31-23-13-11-20(12-14-23)27-19-28(21-7-3-1-4-8-21)32-30(22-9-5-2-6-10-22)26(27)16-15-25-17-24(33)18-29(34)35-25/h1,3-4,7-8,11-16,19,22,24-25,33H,2,5-6,9-10,17-18H2/b16-15+/t24-,25-/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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50014823
((E)-4-Hydroxy-6-{2-[2-isopropyl-6-phenyl-4-(4-trif...)Show SMILES CC(C)c1nc(cc(-c2ccc(cc2)C(F)(F)F)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C28H26F3NO3/c1-17(2)27-23(13-12-22-14-21(33)15-26(34)35-22)24(16-25(32-27)19-6-4-3-5-7-19)18-8-10-20(11-9-18)28(29,30)31/h3-13,16-17,21-22,33H,14-15H2,1-2H3/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 | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50406102
(CHEMBL2111268)Show SMILES Cc1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C25H22FNO3/c1-16-22(12-11-21-13-20(28)14-25(29)30-21)23(17-7-9-19(26)10-8-17)15-24(27-16)18-5-3-2-4-6-18/h2-12,15,20-21,28H,13-14H2,1H3/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 rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50014832
((E)-6-{2-[2-Ethyl-4-(4-fluoro-phenyl)-6-phenyl-pyr...)Show SMILES CCc1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C26H24FNO3/c1-2-24-22(13-12-21-14-20(29)15-26(30)31-21)23(17-8-10-19(27)11-9-17)16-25(28-24)18-6-4-3-5-7-18/h3-13,16,20-21,29H,2,14-15H2,1H3/b13-12+/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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
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 cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles... |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50406102
(CHEMBL2111268)Show SMILES Cc1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C25H22FNO3/c1-16-22(12-11-21-13-20(28)14-25(29)30-21)23(17-7-9-19(26)10-8-17)15-24(27-16)18-5-3-2-4-6-18/h2-12,15,20-21,28H,13-14H2,1H3/b12-11+/t20-,21-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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
Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles... |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50014827
((E)-6-{2-[4-(4-Chloro-phenyl)-2,6-dimethyl-pyridin...)Show SMILES Cc1cc(-c2ccc(Cl)cc2)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(C)n1 Show InChI InChI=1S/C20H20ClNO3/c1-12-9-19(14-3-5-15(21)6-4-14)18(13(2)22-12)8-7-17-10-16(23)11-20(24)25-17/h3-9,16-17,23H,10-11H2,1-2H3/b8-7+/t16-,17-/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 | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50406107
(CHEMBL2111238)Show SMILES Cc1nc(cc(-c2ccc(F)cc2)c1\C=C/[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C25H22FNO3/c1-16-22(12-11-21-13-20(28)14-25(29)30-21)23(17-7-9-19(26)10-8-17)15-24(27-16)18-5-3-2-4-6-18/h2-12,15,20-21,28H,13-14H2,1H3/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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50014822
((E)-4-Hydroxy-6-{2-[2-isopropyl-4-(4-methoxy-pheny...)Show SMILES COc1ccc(cc1)-c1cc(nc(C(C)C)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C28H29NO4/c1-18(2)28-24(14-13-23-15-21(30)16-27(31)33-23)25(19-9-11-22(32-3)12-10-19)17-26(29-28)20-7-5-4-6-8-20/h4-14,17-18,21,23,30H,15-16H2,1-3H3/b14-13+/t21-,23-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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
Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles... |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50014822
((E)-4-Hydroxy-6-{2-[2-isopropyl-4-(4-methoxy-pheny...)Show SMILES COc1ccc(cc1)-c1cc(nc(C(C)C)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C28H29NO4/c1-18(2)28-24(14-13-23-15-21(30)16-27(31)33-23)25(19-9-11-22(32-3)12-10-19)17-26(29-28)20-7-5-4-6-8-20/h4-14,17-18,21,23,30H,15-16H2,1-3H3/b14-13+/t21-,23-/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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50406106
(CHEMBL2111271)Show SMILES Cc1cc(-c2ccc(F)cc2)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(C)n1 Show InChI InChI=1S/C20H20FNO3/c1-12-9-19(14-3-5-15(21)6-4-14)18(13(2)22-12)8-7-17-10-16(23)11-20(24)25-17/h3-9,16-17,23H,10-11H2,1-2H3/b8-7+/t16-,17-/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 | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50014834
(6-{2-[4-(4-Fluoro-phenyl)-2-isopropyl-6-phenyl-pyr...)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1CCC1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C27H28FNO3/c1-17(2)27-23(13-12-22-14-21(30)15-26(31)32-22)24(18-8-10-20(28)11-9-18)16-25(29-27)19-6-4-3-5-7-19/h3-11,16-17,21-22,30H,12-15H2,1-2H3/t21-,22?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles... |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50014833
((E)-6-{2-[4-(4-Fluoro-phenyl)-2,6-dimethyl-pyrimid...)Show SMILES Cc1nc(C)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H19FN2O3/c1-11-17(8-7-16-9-15(23)10-18(24)25-16)19(22-12(2)21-11)13-3-5-14(20)6-4-13/h3-8,15-16,23H,9-10H2,1-2H3/b8-7+/t15-,16-/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 | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50406105
(CHEMBL2111270)Show SMILES Cc1nc(C)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H19ClN2O3/c1-11-17(8-7-16-9-15(23)10-18(24)25-16)19(22-12(2)21-11)13-3-5-14(20)6-4-13/h3-8,15-16,23H,9-10H2,1-2H3/b8-7+/t15-,16-/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 | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50406104
(CHEMBL2111237)Show SMILES Cc1nc(C)c(\C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H19ClN2O3/c1-11-17(8-7-16-9-15(23)10-18(24)25-16)19(22-12(2)21-11)13-3-5-14(20)6-4-13/h3-8,15-16,23H,9-10H2,1-2H3/b8-7-/t15-,16-/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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50406103
(CHEMBL2111239)Show SMILES Cc1cc(-c2ccc(F)cc2)c(\C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(C)n1 Show InChI InChI=1S/C20H20FNO3/c1-12-9-19(14-3-5-15(21)6-4-14)18(13(2)22-12)8-7-17-10-16(23)11-20(24)25-17/h3-9,16-17,23H,10-11H2,1-2H3/b8-7-/t16-,17-/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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50014830
(6-{2-[4-(4-Fluoro-phenyl)-2,6-dimethyl-pyrimidin-5...)Show SMILES Cc1nc(C)c(CCC2C[C@@H](O)CC(=O)O2)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H21FN2O3/c1-11-17(8-7-16-9-15(23)10-18(24)25-16)19(22-12(2)21-11)13-3-5-14(20)6-4-13/h3-6,15-16,23H,7-10H2,1-2H3/t15-,16?/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 rat liver HMG-CoA reductase |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50406106
(CHEMBL2111271)Show SMILES Cc1cc(-c2ccc(F)cc2)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(C)n1 Show InChI InChI=1S/C20H20FNO3/c1-12-9-19(14-3-5-15(21)6-4-14)18(13(2)22-12)8-7-17-10-16(23)11-20(24)25-17/h3-9,16-17,23H,10-11H2,1-2H3/b8-7+/t16-,17-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG
Curated by ChEMBL
| Assay Description
Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles... |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50406107
(CHEMBL2111238)Show SMILES Cc1nc(cc(-c2ccc(F)cc2)c1\C=C/[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C25H22FNO3/c1-16-22(12-11-21-13-20(28)14-25(29)30-21)23(17-7-9-19(26)10-8-17)15-24(27-16)18-5-3-2-4-6-18/h2-12,15,20-21,28H,13-14H2,1H3/b12-11-/t20-,21-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles... |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50014818
((E)-6-{2-[2-Cyclohexyl-4-(4-fluoro-phenyl)-6-pheny...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(nc(cc1-c1ccc(F)cc1)-c1ccccc1)C1CCCCC1 Show InChI InChI=1S/C30H30FNO3/c31-23-13-11-20(12-14-23)27-19-28(21-7-3-1-4-8-21)32-30(22-9-5-2-6-10-22)26(27)16-15-25-17-24(33)18-29(34)35-25/h1,3-4,7-8,11-16,19,22,24-25,33H,2,5-6,9-10,17-18H2/b16-15+/t24-,25-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles... |
J Med Chem 33: 52-60 (1990)
BindingDB Entry DOI: 10.7270/Q22N5177 |
More data for this
Ligand-Target Pair | |
Search and Browse
