Found 35 hits with Last Name = 'scallen' and Initial = 'tj' 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)) | BDBM50291237
(CHEMBL153492 | Sodium; (E)-(3R,5S)-7-[4-(4-fluoro-...)Show SMILES CC(C)c1sc(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccccc1 Show InChI InChI=1S/C26H27FO4S/c1-16(2)25-22(13-12-20(28)14-21(29)15-23(30)31)24(17-8-10-19(27)11-9-17)26(32-25)18-6-4-3-5-7-18/h3-13,16,20-21,28-29H,14-15H2,1-2H3,(H,30,31)/p-1/b13-12+/t20-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50291241
(CHEMBL153021 | Sodium; (E)-(3R,5S)-7-[4-(4-fluoro-...)Show SMILES COc1ccc(cc1)-c1sc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c1-c1ccc(F)cc1 Show InChI InChI=1S/C27H29FO5S/c1-16(2)26-23(13-10-20(29)14-21(30)15-24(31)32)25(17-4-8-19(28)9-5-17)27(34-26)18-6-11-22(33-3)12-7-18/h4-13,16,20-21,29-30H,14-15H2,1-3H3,(H,31,32)/p-1/b13-10+/t20-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50288129
((2-Phenyl-propyl)-{2-[4-((E)-styryl)-phenoxy]-ethy...)Show InChI InChI=1S/C25H27NO/c1-21(24-10-6-3-7-11-24)20-26-18-19-27-25-16-14-23(15-17-25)13-12-22-8-4-2-5-9-22/h2-17,21,26H,18-20H2,1H3/b13-12+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against squalene synthase using rat liver microsomal assay |
Bioorg Med Chem Lett 6: 2491-2494 (1996)
Article DOI: 10.1016/0960-894X(96)00470-2
BindingDB Entry DOI: 10.7270/Q21V5DZZ |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50288124
(Benzyl-{2-[4-((E)-styryl)-phenoxy]-ethyl}-amine | ...)Show InChI InChI=1S/C23H23NO/c1-3-7-20(8-4-1)11-12-21-13-15-23(16-14-21)25-18-17-24-19-22-9-5-2-6-10-22/h1-16,24H,17-19H2/b12-11+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against squalene synthase using rat liver microsomal assay |
Bioorg Med Chem Lett 6: 2491-2494 (1996)
Article DOI: 10.1016/0960-894X(96)00470-2
BindingDB Entry DOI: 10.7270/Q21V5DZZ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50291258
(CHEMBL152366 | Sodium; (E)-(3R,5S)-7-[4-(4-fluoro-...)Show SMILES CC(C)c1sc(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccc(C)cc1 Show InChI InChI=1S/C27H29FO4S/c1-16(2)26-23(13-12-21(29)14-22(30)15-24(31)32)25(18-8-10-20(28)11-9-18)27(33-26)19-6-4-17(3)5-7-19/h4-13,16,21-22,29-30H,14-15H2,1-3H3,(H,31,32)/p-1/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
| Article
| n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50288127
(CHEMBL312125 | [2-(4-Benzyloxy-phenoxy)-ethyl]-(2-...)Show InChI InChI=1S/C24H27NO2/c1-20(22-10-6-3-7-11-22)18-25-16-17-26-23-12-14-24(15-13-23)27-19-21-8-4-2-5-9-21/h2-15,20,25H,16-19H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against squalene synthase using rat liver microsomal assay |
Bioorg Med Chem Lett 6: 2491-2494 (1996)
Article DOI: 10.1016/0960-894X(96)00470-2
BindingDB Entry DOI: 10.7270/Q21V5DZZ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50291255
(CHEMBL358623 | Sodium; (E)-(3R,5S)-7-[4-(4-fluoro-...)Show SMILES [#6]-[#6](-[#6])-c1sc(\[#6]=[#6](/[#6])-[#6])c(c1\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C24H29FO4S/c1-14(2)11-21-23(16-5-7-17(25)8-6-16)20(24(30-21)15(3)4)10-9-18(26)12-19(27)13-22(28)29/h5-11,15,18-19,26-27H,12-13H2,1-4H3,(H,28,29)/p-1/b10-9+/t18-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50288123
(CHEMBL82277 | [2-(4-Benzyloxy-phenoxy)-ethyl]-phen...)Show InChI InChI=1S/C23H25NO2/c1-3-7-20(8-4-1)15-16-24-17-18-25-22-11-13-23(14-12-22)26-19-21-9-5-2-6-10-21/h1-14,24H,15-19H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against squalene synthase using rat liver microsomal assay |
Bioorg Med Chem Lett 6: 2491-2494 (1996)
Article DOI: 10.1016/0960-894X(96)00470-2
BindingDB Entry DOI: 10.7270/Q21V5DZZ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50291256
(CHEMBL152129 | Sodium; (E)-(3R,5S)-7-[5-(4-chloro-...)Show SMILES CC(C)c1sc(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H26ClFO4S/c1-15(2)25-22(12-11-20(29)13-21(30)14-23(31)32)24(16-5-9-19(28)10-6-16)26(33-25)17-3-7-18(27)8-4-17/h3-12,15,20-21,29-30H,13-14H2,1-2H3,(H,31,32)/p-1/b12-11+/t20-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50291252
(CHEMBL152551 | Sodium; (E)-(3R,5S)-7-[4-(4-fluoro-...)Show SMILES CC(C)c1sc(C(C)C)c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C23H29FO4S/c1-13(2)22-19(10-9-17(25)11-18(26)12-20(27)28)21(23(29-22)14(3)4)15-5-7-16(24)8-6-15/h5-10,13-14,17-18,25-26H,11-12H2,1-4H3,(H,27,28)/p-1/b10-9+/t17-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50291239
(CHEMBL151961 | Sodium; (E)-(3R,5S)-3,5-dihydroxy-7...)Show SMILES CC(C)c1sc(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C26H28O4S/c1-17(2)25-22(14-13-20(27)15-21(28)16-23(29)30)24(18-9-5-3-6-10-18)26(31-25)19-11-7-4-8-12-19/h3-14,17,20-21,27-28H,15-16H2,1-2H3,(H,29,30)/p-1/b14-13+/t20-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50291243
(CHEMBL152926 | Sodium; (E)-(3R,5S)-7-[4-(3-fluoro-...)Show SMILES CC(C)c1sc(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1cccc(F)c1)-c1ccccc1 Show InChI InChI=1S/C26H27FO4S/c1-16(2)25-22(12-11-20(28)14-21(29)15-23(30)31)24(18-9-6-10-19(27)13-18)26(32-25)17-7-4-3-5-8-17/h3-13,16,20-21,28-29H,14-15H2,1-2H3,(H,30,31)/p-1/b12-11+/t20-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50288128
(Benzyl-(4-benzyloxy-benzyl)-amine | CHEMBL82015)Show InChI InChI=1S/C21H21NO/c1-3-7-18(8-4-1)15-22-16-19-11-13-21(14-12-19)23-17-20-9-5-2-6-10-20/h1-14,22H,15-17H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against squalene synthase using rat liver microsomal assay |
Bioorg Med Chem Lett 6: 2491-2494 (1996)
Article DOI: 10.1016/0960-894X(96)00470-2
BindingDB Entry DOI: 10.7270/Q21V5DZZ |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50288125
(Benzyl-[2-(4-benzyloxy-phenoxy)-ethyl]-amine | CHE...)Show InChI InChI=1S/C22H23NO2/c1-3-7-19(8-4-1)17-23-15-16-24-21-11-13-22(14-12-21)25-18-20-9-5-2-6-10-20/h1-14,23H,15-18H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against squalene synthase using rat liver microsomal assay |
Bioorg Med Chem Lett 6: 2491-2494 (1996)
Article DOI: 10.1016/0960-894X(96)00470-2
BindingDB Entry DOI: 10.7270/Q21V5DZZ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50291251
(CHEMBL346856 | Sodium; (E)-(3R,5S)-3,5-dihydroxy-7...)Show SMILES CC(C)c1sc(C)c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C21H26O4S/c1-13(2)21-18(10-9-16(22)11-17(23)12-19(24)25)20(14(3)26-21)15-7-5-4-6-8-15/h4-10,13,16-17,22-23H,11-12H2,1-3H3,(H,24,25)/p-1/b10-9+/t16-,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50047461
(Benzyl-((2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-tri...)Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6]-c1ccccc1 Show InChI InChI=1S/C22H33N/c1-19(2)10-8-11-20(3)12-9-13-21(4)16-17-23-18-22-14-6-5-7-15-22/h5-7,10,12,14-16,23H,8-9,11,13,17-18H2,1-4H3/b20-12+,21-16+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against squalene synthase using rat liver microsomal assay |
Bioorg Med Chem Lett 6: 2491-2494 (1996)
Article DOI: 10.1016/0960-894X(96)00470-2
BindingDB Entry DOI: 10.7270/Q21V5DZZ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50291254
(CHEMBL357515 | Sodium; (R)-3-hydroxy-7-[(1S,2S,8S,...)Show SMILES CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CCCC[C@@H](O)CC([O-])=O)[C@@H]12 |c:12,t:10| Show InChI InChI=1S/C23H36O5/c1-4-15(2)23(27)28-20-11-7-8-17-13-12-16(3)19(22(17)20)10-6-5-9-18(24)14-21(25)26/h8,12-13,15-16,18-20,22,24H,4-7,9-11,14H2,1-3H3,(H,25,26)/p-1/t15-,16-,18+,19-,20-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50291240
(CHEMBL152032 | Sodium; (R)-7-[(1S,2S,6R,8S,8aR)-2,...)Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCCC[C@@H](O)CC([O-])=O)[C@@H]12 |c:13,t:11| Show InChI InChI=1S/C24H38O5/c1-5-16(3)24(28)29-21-13-15(2)12-18-11-10-17(4)20(23(18)21)9-7-6-8-19(25)14-22(26)27/h10-12,15-17,19-21,23,25H,5-9,13-14H2,1-4H3,(H,26,27)/p-1/t15-,16-,17-,19+,20-,21-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50291259
(CHEMBL152893 | Sodium; (E)-(3R,5S)-7-(4-cyclohexyl...)Show SMILES CC(C)c1sc(c(C2CCCCC2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C26H34O4S/c1-17(2)25-22(14-13-20(27)15-21(28)16-23(29)30)24(18-9-5-3-6-10-18)26(31-25)19-11-7-4-8-12-19/h4,7-8,11-14,17-18,20-21,27-28H,3,5-6,9-10,15-16H2,1-2H3,(H,29,30)/p-1/b14-13+/t20-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 202 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50291248
(CHEMBL358245 | Sodium; (E)-(3R,5S)-7-[4-(4-fluoro-...)Show SMILES COCCOCc1sc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c1-c1ccc(F)cc1 Show InChI InChI=1S/C24H31FO6S/c1-15(2)24-20(9-8-18(26)12-19(27)13-22(28)29)23(16-4-6-17(25)7-5-16)21(32-24)14-31-11-10-30-3/h4-9,15,18-19,26-27H,10-14H2,1-3H3,(H,28,29)/p-1/b9-8+/t18-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 206 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50291238
(CHEMBL434313 | Sodium; (E)-(3R,5S)-7-[4-(2-fluoro-...)Show SMILES CC(C)c1sc(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1F)-c1ccccc1 |wU:13.14,10.11,(4.68,-9.6,;3.2,-10.08,;2.88,-11.58,;2.06,-9.03,;.55,-9.36,;-.23,-8.03,;.8,-6.88,;2.23,-7.49,;3.56,-6.73,;4.9,-7.49,;6.23,-6.73,;6.23,-5.19,;7.56,-7.49,;8.91,-6.73,;8.91,-5.19,;10.24,-7.49,;11.58,-6.73,;12.92,-7.49,;11.58,-5.19,;.48,-5.36,;-.98,-4.91,;-1.31,-3.4,;-.16,-2.36,;1.31,-2.84,;1.62,-4.33,;3.09,-4.82,;-1.75,-7.87,;-2.66,-9.12,;-4.18,-8.96,;-4.82,-7.54,;-3.91,-6.3,;-2.38,-6.46,)| Show InChI InChI=1S/C26H27FO4S/c1-16(2)25-21(13-12-18(28)14-19(29)15-23(30)31)24(20-10-6-7-11-22(20)27)26(32-25)17-8-4-3-5-9-17/h3-13,16,18-19,28-29H,14-15H2,1-2H3,(H,30,31)/p-1/b13-12+/t18-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 233 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50291245
(CHEMBL347277 | Sodium; (E)-(3R,5S)-7-[4-(4-fluoro-...)Show SMILES CC(C)c1sc(CO)c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C21H25FO5S/c1-12(2)21-17(8-7-15(24)9-16(25)10-19(26)27)20(18(11-23)28-21)13-3-5-14(22)6-4-13/h3-8,12,15-16,23-25H,9-11H2,1-2H3,(H,26,27)/p-1/b8-7+/t15-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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PC sid
UniChem
Similars
| Article
| n/a | n/a | 325 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50291249
(CHEMBL348225 | Sodium; (E)-(3R,5S)-7-(4-cyclopenty...)Show SMILES CC(C)c1sc(c(C2CCCC2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C25H32O4S/c1-16(2)24-21(13-12-19(26)14-20(27)15-22(28)29)23(17-8-6-7-9-17)25(30-24)18-10-4-3-5-11-18/h3-5,10-13,16-17,19-20,26-27H,6-9,14-15H2,1-2H3,(H,28,29)/p-1/b13-12+/t19-,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 417 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
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
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B.MOAD
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CHEMBL
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MMDB
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| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50291247
(CHEMBL154868 | Sodium; (E)-(3R,5S)-7-[5-cyclopenty...)Show SMILES CC(C)c1sc(C2CCCC2)c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C25H31FO4S/c1-15(2)24-21(12-11-19(27)13-20(28)14-22(29)30)23(16-7-9-18(26)10-8-16)25(31-24)17-5-3-4-6-17/h7-12,15,17,19-20,27-28H,3-6,13-14H2,1-2H3,(H,29,30)/p-1/b12-11+/t19-,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50291260
(CHEMBL154986 | Sodium; (E)-(3R,5S)-3,5-dihydroxy-7...)Show SMILES [#6]-[#6](-[#6])-c1sc(c(\[#6]=[#6](/[#6])-[#6])c1\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)-c1ccccc1 Show InChI InChI=1S/C24H30O4S/c1-15(2)12-21-20(11-10-18(25)13-19(26)14-22(27)28)23(16(3)4)29-24(21)17-8-6-5-7-9-17/h5-12,16,18-19,25-26H,13-14H2,1-4H3,(H,27,28)/p-1/b11-10+/t18-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50011036
((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)Show SMILES CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |r,c:12,t:10| Show InChI InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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PDB
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| Article
| n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50291253
(CHEMBL152114 | Sodium; (E)-(3R,5S)-3,5-dihydroxy-7...)Show SMILES CC(C)c1sc(c(-c2cccs2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C24H26O4S2/c1-15(2)23-19(11-10-17(25)13-18(26)14-21(27)28)22(20-9-6-12-29-20)24(30-23)16-7-4-3-5-8-16/h3-12,15,17-18,25-26H,13-14H2,1-2H3,(H,27,28)/p-1/b11-10+/t17-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50291246
(CHEMBL346635 | Sodium; (E)-(3R,5S)-3,5-dihydroxy-7...)Show SMILES COc1ccc(cc1)-c1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(sc1-c1ccccc1)C(C)C Show InChI InChI=1S/C27H30O5S/c1-17(2)26-23(14-11-20(28)15-21(29)16-24(30)31)25(18-9-12-22(32-3)13-10-18)27(33-26)19-7-5-4-6-8-19/h4-14,17,20-21,28-29H,15-16H2,1-3H3,(H,30,31)/p-1/b14-11+/t20-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50291244
(CHEMBL150649 | Sodium; (E)-(3R,5S)-3,5-dihydroxy-7...)Show SMILES CC(C)c1sc(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1cccc(c1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C27H27F3O4S/c1-16(2)25-22(12-11-20(31)14-21(32)15-23(33)34)24(26(35-25)17-7-4-3-5-8-17)18-9-6-10-19(13-18)27(28,29)30/h3-13,16,20-21,31-32H,14-15H2,1-2H3,(H,33,34)/p-1/b12-11+/t20-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50291257
(CHEMBL152963 | Sodium; (E)-(3R,5S)-7-[4-(4-fluoro-...)Show SMILES CCCCCCCCc1sc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c1-c1ccc(F)cc1 Show InChI InChI=1S/C28H39FO4S/c1-4-5-6-7-8-9-10-25-27(20-11-13-21(29)14-12-20)24(28(34-25)19(2)3)16-15-22(30)17-23(31)18-26(32)33/h11-16,19,22-23,30-31H,4-10,17-18H2,1-3H3,(H,32,33)/p-1/b16-15+/t22-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50291250
(CHEMBL358171 | Sodium; (E)-(3R,5S)-7-(4-biphenyl-4...)Show SMILES CC(C)c1sc(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(cc1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C32H32O4S/c1-21(2)31-28(18-17-26(33)19-27(34)20-29(35)36)30(32(37-31)25-11-7-4-8-12-25)24-15-13-23(14-16-24)22-9-5-3-6-10-22/h3-18,21,26-27,33-34H,19-20H2,1-2H3,(H,35,36)/p-1/b18-17+/t26-,27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
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PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50291242
(CHEMBL347095 | Sodium; (E)-(3R,5S)-3,5-dihydroxy-7...)Show SMILES CCCCCCCCc1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(sc1-c1ccccc1)C(C)C Show InChI InChI=1S/C28H40O4S/c1-4-5-6-7-8-12-15-24-25(17-16-22(29)18-23(30)19-26(31)32)27(20(2)3)33-28(24)21-13-10-9-11-14-21/h9-11,13-14,16-17,20,22-23,29-30H,4-8,12,15,18-19H2,1-3H3,(H,31,32)/p-1/b17-16+/t22-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation |
Bioorg Med Chem Lett 7: 549-554 (1997)
Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50288126
(Benzyl-{2-[2-(4-benzyloxy-phenoxy)-ethoxy]-ethyl}-...)Show InChI InChI=1S/C24H27NO3/c1-3-7-21(8-4-1)19-25-15-16-26-17-18-27-23-11-13-24(14-12-23)28-20-22-9-5-2-6-10-22/h1-14,25H,15-20H2 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against squalene synthase using rat liver microsomal assay |
Bioorg Med Chem Lett 6: 2491-2494 (1996)
Article DOI: 10.1016/0960-894X(96)00470-2
BindingDB Entry DOI: 10.7270/Q21V5DZZ |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50288122
(Benzyl-[2-(4-methoxy-phenoxy)-ethyl]-amine | CHEMB...)Show InChI InChI=1S/C16H19NO2/c1-18-15-7-9-16(10-8-15)19-12-11-17-13-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 8.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against squalene synthase using rat liver microsomal assay |
Bioorg Med Chem Lett 6: 2491-2494 (1996)
Article DOI: 10.1016/0960-894X(96)00470-2
BindingDB Entry DOI: 10.7270/Q21V5DZZ |
More data for this
Ligand-Target Pair | |
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