Found 13 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
(Rattus norvegicus (rat)) | BDBM50042653
(7-[3-Bromo-4,5-bis-(4-fluoro-phenyl)-2-isopropyl-p...)Show SMILES COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(C(C)C)c(Br)c(c1-c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H28BrF2NO4/c1-16(2)26-25(28)24(17-4-8-19(29)9-5-17)27(18-6-10-20(30)11-7-18)31(26)13-12-21(32)14-22(33)15-23(34)35-3/h4-13,16,21-22,32-33H,14-15H2,1-3H3/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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rat liver microsomal HMG-CoA reductase |
J Med Chem 36: 3658-62 (1994)
BindingDB Entry DOI: 10.7270/Q2SJ1JP7 |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50042654
(7-[3-(3-Bromo-phenyl)-2-(4-fluoro-phenyl)-5-isopro...)Show SMILES COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1ccc(F)cc1)-c1cccc(Br)c1)C(C)C Show InChI InChI=1S/C27H29BrFNO4/c1-17(2)25-16-24(19-5-4-6-20(28)13-19)27(18-7-9-21(29)10-8-18)30(25)12-11-22(31)14-23(32)15-26(33)34-3/h4-13,16-17,22-23,31-32H,14-15H2,1-3H3/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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rat liver microsomal HMG-CoA reductase |
J Med Chem 36: 3658-62 (1994)
BindingDB Entry DOI: 10.7270/Q2SJ1JP7 |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50042650
(7-[2-(4-Fluoro-phenyl)-5-isopropyl-3-phenyl-pyrrol...)Show SMILES COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1ccc(F)cc1)-c1ccccc1)C(C)C Show InChI InChI=1S/C27H30FNO4/c1-18(2)25-17-24(19-7-5-4-6-8-19)27(20-9-11-21(28)12-10-20)29(25)14-13-22(30)15-23(31)16-26(32)33-3/h4-14,17-18,22-23,30-31H,15-16H2,1-3H3/b14-13+/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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rat liver microsomal HMG-CoA reductase |
J Med Chem 36: 3658-62 (1994)
BindingDB Entry DOI: 10.7270/Q2SJ1JP7 |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50042656
(7-[2,3-Bis-(4-fluoro-phenyl)-5-isopropyl-pyrrol-1-...)Show SMILES COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1ccc(F)cc1)-c1ccc(F)cc1)C(C)C Show InChI InChI=1S/C27H29F2NO4/c1-17(2)25-16-24(18-4-8-20(28)9-5-18)27(19-6-10-21(29)11-7-19)30(25)13-12-22(31)14-23(32)15-26(33)34-3/h4-13,16-17,22-23,31-32H,14-15H2,1-3H3/b13-12+/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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rat liver microsomal HMG-CoA reductase |
J Med Chem 36: 3658-62 (1994)
BindingDB Entry DOI: 10.7270/Q2SJ1JP7 |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50042652
(7-[2-(4-Fluoro-phenyl)-5-isopropyl-3-pyridin-2-yl-...)Show SMILES COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1ccc(F)cc1)-c1ccccn1)C(C)C Show InChI InChI=1S/C26H29FN2O4/c1-17(2)24-16-22(23-6-4-5-12-28-23)26(18-7-9-19(27)10-8-18)29(24)13-11-20(30)14-21(31)15-25(32)33-3/h4-13,16-17,20-21,30-31H,14-15H2,1-3H3/b13-11+/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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rat liver microsomal HMG-CoA reductase |
J Med Chem 36: 3658-62 (1994)
BindingDB Entry DOI: 10.7270/Q2SJ1JP7 |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50042646
(7-[3-(3-Chloro-phenyl)-2-(4-fluoro-phenyl)-5-isopr...)Show SMILES COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1ccc(F)cc1)-c1cccc(Cl)c1)C(C)C Show InChI InChI=1S/C27H29ClFNO4/c1-17(2)25-16-24(19-5-4-6-20(28)13-19)27(18-7-9-21(29)10-8-18)30(25)12-11-22(31)14-23(32)15-26(33)34-3/h4-13,16-17,22-23,31-32H,14-15H2,1-3H3/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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rat liver microsomal HMG-CoA reductase |
J Med Chem 36: 3658-62 (1994)
BindingDB Entry DOI: 10.7270/Q2SJ1JP7 |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50004774
((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[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
CHEMBL MCE MMDB PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rat liver microsomal HMG-CoA reductase |
J Med Chem 36: 3658-62 (1994)
BindingDB Entry DOI: 10.7270/Q2SJ1JP7 |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50006412
((3R,5R)-3,5-dihydroxy-7-((1S,2S,6S,8S,8aR)-6-hydro...)Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](O)C=C2C=C[C@H](C)[C@H](CCC(O)C[C@@H](O)CC([O-])=O)[C@@H]12 |c:13,t:11| Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/p-1/t13-,14-,16?,17-,18+,19-,20-,22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
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 |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rat liver microsomal HMG-CoA reductase |
J Med Chem 36: 3658-62 (1994)
BindingDB Entry DOI: 10.7270/Q2SJ1JP7 |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50042647
(7-[2-(4-Fluoro-phenyl)-5-isopropyl-3-pyridin-4-yl-...)Show SMILES COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1ccc(F)cc1)-c1ccncc1)C(C)C Show InChI InChI=1S/C26H29FN2O4/c1-17(2)24-16-23(18-8-11-28-12-9-18)26(19-4-6-20(27)7-5-19)29(24)13-10-21(30)14-22(31)15-25(32)33-3/h4-13,16-17,21-22,30-31H,14-15H2,1-3H3/b13-10+/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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rat liver microsomal HMG-CoA reductase |
J Med Chem 36: 3658-62 (1994)
BindingDB Entry DOI: 10.7270/Q2SJ1JP7 |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50042645
(7-[3-(4-Fluoro-phenyl)-5-isopropyl-2-phenyl-pyrrol...)Show SMILES COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1ccccc1)-c1ccc(F)cc1)C(C)C Show InChI InChI=1S/C27H30FNO4/c1-18(2)25-17-24(19-9-11-21(28)12-10-19)27(20-7-5-4-6-8-20)29(25)14-13-22(30)15-23(31)16-26(32)33-3/h4-14,17-18,22-23,30-31H,15-16H2,1-3H3/b14-13+/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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rat liver microsomal HMG-CoA reductase |
J Med Chem 36: 3658-62 (1994)
BindingDB Entry DOI: 10.7270/Q2SJ1JP7 |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50042649
(7-[2-(3-Bromo-phenyl)-3-(4-fluoro-phenyl)-5-isopro...)Show SMILES COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1cccc(Br)c1)-c1ccc(F)cc1)C(C)C Show InChI InChI=1S/C27H29BrFNO4/c1-17(2)25-16-24(18-7-9-21(29)10-8-18)27(19-5-4-6-20(28)13-19)30(25)12-11-22(31)14-23(32)15-26(33)34-3/h4-13,16-17,22-23,31-32H,14-15H2,1-3H3/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 | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rat liver microsomal HMG-CoA reductase |
J Med Chem 36: 3658-62 (1994)
BindingDB Entry DOI: 10.7270/Q2SJ1JP7 |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50042651
(7-[2-(3-Chloro-phenyl)-3-(4-fluoro-phenyl)-5-isopr...)Show SMILES COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1cccc(Cl)c1)-c1ccc(F)cc1)C(C)C Show InChI InChI=1S/C27H29ClFNO4/c1-17(2)25-16-24(18-7-9-21(29)10-8-18)27(19-5-4-6-20(28)13-19)30(25)12-11-22(31)14-23(32)15-26(33)34-3/h4-13,16-17,22-23,31-32H,14-15H2,1-3H3/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 | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rat liver microsomal HMG-CoA reductase |
J Med Chem 36: 3658-62 (1994)
BindingDB Entry DOI: 10.7270/Q2SJ1JP7 |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50042655
(7-[2,3-Bis-(4-fluoro-phenyl)-5-isopropyl-pyrrol-1-...)Show SMILES COC(=O)C[C@H](O)C[C@H](O)CCn1c(cc(c1-c1ccc(F)cc1)-c1ccc(F)cc1)C(C)C Show InChI InChI=1S/C27H31F2NO4/c1-17(2)25-16-24(18-4-8-20(28)9-5-18)27(19-6-10-21(29)11-7-19)30(25)13-12-22(31)14-23(32)15-26(33)34-3/h4-11,16-17,22-23,31-32H,12-15H2,1-3H3/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 | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description Inhibition of rat liver microsomal HMG-CoA reductase |
J Med Chem 36: 3658-62 (1994)
BindingDB Entry DOI: 10.7270/Q2SJ1JP7 |
More data for this Ligand-Target Pair | |