Found 57 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)) | BDBM50405306
(CHEMBL2114971)Show SMILES O[C@@H]1C[C@@H](CCc2c(Cl)cc(Cl)cc2OCc2ccc(F)cc2)OC(=O)C1 Show InChI InChI=1S/C20H19Cl2FO4/c21-13-7-18(22)17(6-5-16-9-15(24)10-20(25)27-16)19(8-13)26-11-12-1-3-14(23)4-2-12/h1-4,7-8,15-16,24H,5-6,9-11H2/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 | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50405306
(CHEMBL2114971)Show SMILES O[C@@H]1C[C@@H](CCc2c(Cl)cc(Cl)cc2OCc2ccc(F)cc2)OC(=O)C1 Show InChI InChI=1S/C20H19Cl2FO4/c21-13-7-18(22)17(6-5-16-9-15(24)10-20(25)27-16)19(8-13)26-11-12-1-3-14(23)4-2-12/h1-4,7-8,15-16,24H,5-6,9-11H2/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 | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026111
(6-{2-[2,4-Dichloro-6-(2-fluoro-benzyloxy)-phenyl]-...)Show SMILES O[C@@H]1CC(CCc2c(Cl)cc(Cl)cc2OCc2ccccc2F)OC(=O)C1 Show InChI InChI=1S/C20H19Cl2FO4/c21-13-7-17(22)16(6-5-15-9-14(24)10-20(25)27-15)19(8-13)26-11-12-3-1-2-4-18(12)23/h1-4,7-8,14-15,24H,5-6,9-11H2/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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50405307
(CHEMBL2115420)Show SMILES O[C@@H]1C[C@@H](CCCc2c(Cl)cc(Cl)cc2COc2ccc(F)cc2)OC(=O)C1 Show InChI InChI=1S/C21H21Cl2FO4/c22-14-8-13(12-27-17-6-4-15(24)5-7-17)19(20(23)9-14)3-1-2-18-10-16(25)11-21(26)28-18/h4-9,16,18,25H,1-3,10-12H2/t16-,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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026135
(6-{2-[2,4-Dichloro-6-(2,4-difluoro-benzyloxy)-phen...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1ccc(F)cc1F Show InChI InChI=1S/C20H16Cl2F2O4/c21-12-5-17(22)16(4-3-15-8-14(25)9-20(26)28-15)19(6-12)27-10-11-1-2-13(23)7-18(11)24/h1-7,14-15,25H,8-10H2/b4-3+/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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026137
(6-{2-[2,4-Dichloro-6-(4-fluoro-benzyloxy)-phenyl]-...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1ccc(F)cc1 Show InChI InChI=1S/C20H17Cl2FO4/c21-13-7-18(22)17(6-5-16-9-15(24)10-20(25)27-16)19(8-13)26-11-12-1-3-14(23)4-2-12/h1-8,15-16,24H,9-11H2/b6-5+/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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50405308
(CHEMBL2115421)Show SMILES O[C@@H]1C[C@@H](CCc2c(Cl)cc(Cl)cc2OCc2ccccc2)OC(=O)C1 Show InChI InChI=1S/C20H20Cl2O4/c21-14-8-18(22)17(7-6-16-10-15(23)11-20(24)26-16)19(9-14)25-12-13-4-2-1-3-5-13/h1-5,8-9,15-16,23H,6-7,10-12H2/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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026127
(6-{2-[2,4-Dichloro-6-(3-fluoro-benzyloxy)-phenyl]-...)Show SMILES O[C@@H]1CC(CCc2c(Cl)cc(Cl)cc2OCc2cccc(F)c2)OC(=O)C1 Show InChI InChI=1S/C20H19Cl2FO4/c21-13-7-18(22)17(5-4-16-9-15(24)10-20(25)27-16)19(8-13)26-11-12-2-1-3-14(23)6-12/h1-3,6-8,15-16,24H,4-5,9-11H2/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 | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026099
(6-[2-(2,4-Dichloro-6-phenoxy-phenyl)-ethyl]-4-hydr...)Show SMILES O[C@@H]1CC(CCc2c(Cl)cc(Cl)cc2Oc2ccccc2)OC(=O)C1 Show InChI InChI=1S/C19H18Cl2O4/c20-12-8-17(21)16(7-6-15-10-13(22)11-19(23)25-15)18(9-12)24-14-4-2-1-3-5-14/h1-5,8-9,13,15,22H,6-7,10-11H2/t13-,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 | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50405305
(CHEMBL2114972)Show SMILES O[C@@H]1C[C@@H](CCc2c(Cl)cc(Cl)cc2COc2ccccc2)OC(=O)C1 Show InChI InChI=1S/C20H20Cl2O4/c21-14-8-13(12-25-16-4-2-1-3-5-16)18(19(22)9-14)7-6-17-10-15(23)11-20(24)26-17/h1-5,8-9,15,17,23H,6-7,10-12H2/t15-,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 | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026131
(6-[2-(2-Benzyloxy-4,6-dichloro-phenyl)-vinyl]-4-hy...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1ccccc1 Show InChI InChI=1S/C20H18Cl2O4/c21-14-8-18(22)17(7-6-16-10-15(23)11-20(24)26-16)19(9-14)25-12-13-4-2-1-3-5-13/h1-9,15-16,23H,10-12H2/b7-6+/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 | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026095
(6-[2-(4-Benzyloxy-2,6-dichloro-phenyl)-vinyl]-4-hy...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(OCc2ccccc2)cc1Cl Show InChI InChI=1S/C20H18Cl2O4/c21-18-10-16(25-12-13-4-2-1-3-5-13)11-19(22)17(18)7-6-15-8-14(23)9-20(24)26-15/h1-7,10-11,14-15,23H,8-9,12H2/b7-6+/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 | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026105
(6-[2-(2,4-Dichloro-6-phenethyloxy-phenyl)-vinyl]-4...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCCc1ccccc1 Show InChI InChI=1S/C21H20Cl2O4/c22-15-10-19(23)18(7-6-17-12-16(24)13-21(25)27-17)20(11-15)26-9-8-14-4-2-1-3-5-14/h1-7,10-11,16-17,24H,8-9,12-13H2/b7-6+/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 | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026098
(6-{2-[2,4-Dichloro-6-(2-fluoro-benzyloxy)-phenyl]-...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1ccccc1F Show InChI InChI=1S/C20H17Cl2FO4/c21-13-7-17(22)16(6-5-15-9-14(24)10-20(25)27-15)19(8-13)26-11-12-3-1-2-4-18(12)23/h1-8,14-15,24H,9-11H2/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 | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026094
(6-{2-[2,4-Dichloro-6-(3-fluoro-benzyloxy)-phenyl]-...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1cccc(F)c1 Show InChI InChI=1S/C20H17Cl2FO4/c21-13-7-18(22)17(5-4-16-9-15(24)10-20(25)27-16)19(8-13)26-11-12-2-1-3-14(23)6-12/h1-8,15-16,24H,9-11H2/b5-4+/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 | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026090
(6-{2-[2,4-Dichloro-6-(furan-2-ylmethoxy)-phenyl]-v...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1ccco1 Show InChI InChI=1S/C18H16Cl2O5/c19-11-6-16(20)15(4-3-13-8-12(21)9-18(22)25-13)17(7-11)24-10-14-2-1-5-23-14/h1-7,12-13,21H,8-10H2/b4-3+/t12-,13-/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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026132
(6-{2-[2,4-Dichloro-6-(thiophen-2-ylmethoxy)-phenyl...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1cccs1 Show InChI InChI=1S/C18H16Cl2O4S/c19-11-6-16(20)15(4-3-13-8-12(21)9-18(22)24-13)17(7-11)23-10-14-2-1-5-25-14/h1-7,12-13,21H,8-10H2/b4-3+/t12-,13-/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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026123
(6-[2-(4-Benzyloxy-2,6-dimethyl-phenyl)-vinyl]-4-hy...)Show SMILES Cc1cc(OCc2ccccc2)cc(C)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1 Show InChI InChI=1S/C22H24O4/c1-15-10-20(25-14-17-6-4-3-5-7-17)11-16(2)21(15)9-8-19-12-18(23)13-22(24)26-19/h3-11,18-19,23H,12-14H2,1-2H3/b9-8+/t18-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026117
(6-{2-[2,6-Dichloro-4-(4-fluoro-benzyloxy)-phenyl]-...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(OCc2ccc(F)cc2)cc1Cl Show InChI InChI=1S/C20H17Cl2FO4/c21-18-9-16(26-11-12-1-3-13(23)4-2-12)10-19(22)17(18)6-5-15-7-14(24)8-20(25)27-15/h1-6,9-10,14-15,24H,7-8,11H2/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 | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026134
(6-[2-(2,4-Dichloro-6-pentafluorophenylmethoxy-phen...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C20H13Cl2F5O4/c21-8-3-13(22)11(2-1-10-5-9(28)6-15(29)31-10)14(4-8)30-7-12-16(23)18(25)20(27)19(26)17(12)24/h1-4,9-10,28H,5-7H2/b2-1+/t9-,10-/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 | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026125
(6-[2-(2,4-Dichloro-6-cyclohexylmethoxy-phenyl)-eth...)Show SMILES O[C@@H]1CC(CCc2c(Cl)cc(Cl)cc2OCC2CCCCC2)OC(=O)C1 Show InChI InChI=1S/C20H26Cl2O4/c21-14-8-18(22)17(7-6-16-10-15(23)11-20(24)26-16)19(9-14)25-12-13-4-2-1-3-5-13/h8-9,13,15-16,23H,1-7,10-12H2/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 | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026138
(6-[2-(2,4-Dichloro-6-methylsulfanylmethoxy-phenyl)...)Show SMILES CSCOc1cc(Cl)cc(Cl)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1 Show InChI InChI=1S/C15H16Cl2O4S/c1-22-8-20-14-5-9(16)4-13(17)12(14)3-2-11-6-10(18)7-15(19)21-11/h2-5,10-11,18H,6-8H2,1H3/b3-2+/t10-,11-/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 | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026128
(6-[2-(2-Allyloxy-4,6-dichloro-phenyl)-vinyl]-4-hyd...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCC=C Show InChI InChI=1S/C16H16Cl2O4/c1-2-5-21-15-7-10(17)6-14(18)13(15)4-3-12-8-11(19)9-16(20)22-12/h2-4,6-7,11-12,19H,1,5,8-9H2/b4-3+/t11-,12-/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 | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026110
(6-[2-(2,4-Dichloro-6-pentyloxy-phenyl)-vinyl]-4-hy...)Show SMILES CCCCCOc1cc(Cl)cc(Cl)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1 Show InChI InChI=1S/C18H22Cl2O4/c1-2-3-4-7-23-17-9-12(19)8-16(20)15(17)6-5-14-10-13(21)11-18(22)24-14/h5-6,8-9,13-14,21H,2-4,7,10-11H2,1H3/b6-5+/t13-,14-/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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026109
(6-(2-{2,4-Dichloro-6-[2-(4-chloro-phenoxy)-ethoxy]...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCCOc1ccc(Cl)cc1 Show InChI InChI=1S/C21H19Cl3O5/c22-13-1-3-16(4-2-13)27-7-8-28-20-10-14(23)9-19(24)18(20)6-5-17-11-15(25)12-21(26)29-17/h1-6,9-10,15,17,25H,7-8,11-12H2/b6-5+/t15-,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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026130
(6-[2-(2,4-Dichloro-6-phenoxy-phenyl)-vinyl]-4-hydr...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1Oc1ccccc1 Show InChI InChI=1S/C19H16Cl2O4/c20-12-8-17(21)16(7-6-15-10-13(22)11-19(23)25-15)18(9-12)24-14-4-2-1-3-5-14/h1-9,13,15,22H,10-11H2/b7-6+/t13-,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 | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026122
(6-{2-[2,4-Dichloro-6-(pyridin-2-ylmethoxy)-phenyl]...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1ccccn1 Show InChI InChI=1S/C19H17Cl2NO4/c20-12-7-17(21)16(5-4-15-9-14(23)10-19(24)26-15)18(8-12)25-11-13-3-1-2-6-22-13/h1-8,14-15,23H,9-11H2/b5-4+/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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026092
(6-{2-[2,4-Dichloro-6-(3-phenyl-propoxy)-phenyl]-vi...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCCCc1ccccc1 Show InChI InChI=1S/C22H22Cl2O4/c23-16-11-20(24)19(9-8-18-13-17(25)14-22(26)28-18)21(12-16)27-10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,17-18,25H,4,7,10,13-14H2/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 | 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026114
(6-{2-[2,4-Dichloro-6-(3-phenyl-allyloxy)-phenyl]-v...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OC\C=C\c1ccccc1 Show InChI InChI=1S/C22H20Cl2O4/c23-16-11-20(24)19(9-8-18-13-17(25)14-22(26)28-18)21(12-16)27-10-4-7-15-5-2-1-3-6-15/h1-9,11-12,17-18,25H,10,13-14H2/b7-4+,9-8+/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 | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026093
(4-{3,5-Dichloro-2-[2-(4-hydroxy-6-oxo-tetrahydro-p...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1ccc(cc1)C#N Show InChI InChI=1S/C21H17Cl2NO4/c22-15-7-19(23)18(6-5-17-9-16(25)10-21(26)28-17)20(8-15)27-12-14-3-1-13(11-24)2-4-14/h1-8,16-17,25H,9-10,12H2/b6-5+/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 | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026100
(6-{2-[2,4-Dichloro-6-(4-chloro-benzyloxy)-phenyl]-...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1ccc(Cl)cc1 Show InChI InChI=1S/C20H17Cl3O4/c21-13-3-1-12(2-4-13)11-26-19-8-14(22)7-18(23)17(19)6-5-16-9-15(24)10-20(25)27-16/h1-8,15-16,24H,9-11H2/b6-5+/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 | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026115
(6-{2-[2,4-Dichloro-6-(4-methoxy-benzyloxy)-phenyl]...)Show SMILES COc1ccc(COc2cc(Cl)cc(Cl)c2\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)cc1 Show InChI InChI=1S/C21H20Cl2O5/c1-26-16-4-2-13(3-5-16)12-27-20-9-14(22)8-19(23)18(20)7-6-17-10-15(24)11-21(25)28-17/h2-9,15,17,24H,10-12H2,1H3/b7-6+/t15-,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 | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026119
(6-{2-[2-(2-Adamantan-1-yl-ethoxy)-4,6-dichloro-phe...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCCC12CC3CC(CC(C3)C1)C2 |TLB:28:27:30:23.22.24,THB:26:27:22:25.30.24| Show InChI InChI=1S/C25H30Cl2O4/c26-18-8-22(27)21(2-1-20-10-19(28)11-24(29)31-20)23(9-18)30-4-3-25-12-15-5-16(13-25)7-17(6-15)14-25/h1-2,8-9,15-17,19-20,28H,3-7,10-14H2/b2-1+/t15?,16?,17?,19-,20-,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 | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50024976
(6-(2-Biphenyl-2-yl-vinyl)-4-hydroxy-tetrahydro-pyr...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1ccccc1-c1ccccc1 Show InChI InChI=1S/C19H18O3/c20-16-12-17(22-19(21)13-16)11-10-15-8-4-5-9-18(15)14-6-2-1-3-7-14/h1-11,16-17,20H,12-13H2/b11-10+/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 | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026136
(6-{2-[2,4-Dichloro-6-(pyridin-3-ylmethoxy)-phenyl]...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1cccnc1 Show InChI InChI=1S/C19H17Cl2NO4/c20-13-6-17(21)16(4-3-15-8-14(23)9-19(24)26-15)18(7-13)25-11-12-2-1-5-22-10-12/h1-7,10,14-15,23H,8-9,11H2/b4-3+/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 | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026120
(6-{2-[2,4-Dichloro-6-(pyridin-4-ylmethoxy)-phenyl]...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1ccncc1 Show InChI InChI=1S/C19H17Cl2NO4/c20-13-7-17(21)16(2-1-15-9-14(23)10-19(24)26-15)18(8-13)25-11-12-3-5-22-6-4-12/h1-8,14-15,23H,9-11H2/b2-1+/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 | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026104
(6-{2-[2,4-Dichloro-6-(naphthalen-1-ylmethoxy)-phen...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1cccc2ccccc12 Show InChI InChI=1S/C24H20Cl2O4/c25-17-10-22(26)21(9-8-19-12-18(27)13-24(28)30-19)23(11-17)29-14-16-6-3-5-15-4-1-2-7-20(15)16/h1-11,18-19,27H,12-14H2/b9-8+/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 | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026101
(6-{2-[2,4-Dichloro-6-(4-methyl-benzyloxy)-phenyl]-...)Show SMILES Cc1ccc(COc2cc(Cl)cc(Cl)c2\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)cc1 Show InChI InChI=1S/C21H20Cl2O4/c1-13-2-4-14(5-3-13)12-26-20-9-15(22)8-19(23)18(20)7-6-17-10-16(24)11-21(25)27-17/h2-9,16-17,24H,10-12H2,1H3/b7-6+/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 | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50405308
(CHEMBL2115421)Show SMILES O[C@@H]1C[C@@H](CCc2c(Cl)cc(Cl)cc2OCc2ccccc2)OC(=O)C1 Show InChI InChI=1S/C20H20Cl2O4/c21-14-8-18(22)17(7-6-16-10-15(23)11-20(24)26-16)19(9-14)25-12-13-4-2-1-3-5-13/h1-5,8-9,15-16,23H,6-7,10-12H2/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 | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50405308
(CHEMBL2115421)Show SMILES O[C@@H]1C[C@@H](CCc2c(Cl)cc(Cl)cc2OCc2ccccc2)OC(=O)C1 Show InChI InChI=1S/C20H20Cl2O4/c21-14-8-18(22)17(7-6-16-10-15(23)11-20(24)26-16)19(9-14)25-12-13-4-2-1-3-5-13/h1-5,8-9,15-16,23H,6-7,10-12H2/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 | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026139
(6-[2-(2-Benzhydryloxy-4,6-dichloro-phenyl)-vinyl]-...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H22Cl2O4/c27-19-13-23(28)22(12-11-21-15-20(29)16-25(30)31-21)24(14-19)32-26(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20-21,26,29H,15-16H2/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 | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026097
(6-[2-(2-Chloro-phenyl)-vinyl]-4-hydroxy-tetrahydro...)Show InChI InChI=1S/C13H13ClO3/c14-12-4-2-1-3-9(12)5-6-11-7-10(15)8-13(16)17-11/h1-6,10-11,15H,7-8H2/b6-5+/t10-,11-/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 | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026103
(6-[2-(2,4-Dichloro-6-hydroxy-phenyl)-ethyl]-4-hydr...)Show InChI InChI=1S/C13H14Cl2O4/c14-7-3-11(15)10(12(17)4-7)2-1-9-5-8(16)6-13(18)19-9/h3-4,8-9,16-17H,1-2,5-6H2/t8-,9?/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 | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026133
(6-[2-(2,6-Dichloro-phenyl)-vinyl]-4-hydroxy-tetrah...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cccc1Cl Show InChI InChI=1S/C13H12Cl2O3/c14-11-2-1-3-12(15)10(11)5-4-9-6-8(16)7-13(17)18-9/h1-5,8-9,16H,6-7H2/b5-4+/t8-,9-/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 | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026096
(6-{2-[2,4-Dichloro-6-(2-methoxy-ethoxymethoxy)-phe...)Show SMILES COCCOCOc1cc(Cl)cc(Cl)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1 Show InChI InChI=1S/C17H20Cl2O6/c1-22-4-5-23-10-24-16-7-11(18)6-15(19)14(16)3-2-13-8-12(20)9-17(21)25-13/h2-3,6-7,12-13,20H,4-5,8-10H2,1H3/b3-2+/t12-,13-/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 | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026108
(6-{2-[2,4-Dichloro-6-(4-trifluoromethyl-benzyloxy)...)Show SMILES O[C@@H]1CC(CCc2c(Cl)cc(Cl)cc2OCc2ccc(cc2)C(F)(F)F)OC(=O)C1 Show InChI InChI=1S/C21H19Cl2F3O4/c22-14-7-18(23)17(6-5-16-9-15(27)10-20(28)30-16)19(8-14)29-11-12-1-3-13(4-2-12)21(24,25)26/h1-4,7-8,15-16,27H,5-6,9-11H2/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 | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026102
(6-[2-(3,5-Dichloro-2-pentyloxy-phenyl)-vinyl]-4-hy...)Show SMILES CCCCCOc1c(Cl)cc(Cl)cc1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1 Show InChI InChI=1S/C18H22Cl2O4/c1-2-3-4-7-23-18-12(8-13(19)9-16(18)20)5-6-15-10-14(21)11-17(22)24-15/h5-6,8-9,14-15,21H,2-4,7,10-11H2,1H3/b6-5+/t14-,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026107
(6-{2-[2,3-Dichloro-4-(4-fluoro-benzyloxy)-phenyl]-...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1Cl Show InChI InChI=1S/C20H17Cl2FO4/c21-19-13(3-7-16-9-15(24)10-18(25)27-16)4-8-17(20(19)22)26-11-12-1-5-14(23)6-2-12/h1-8,15-16,24H,9-11H2/b7-3+/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 | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026112
(6-[2-(2,4-Dichloro-phenyl)-vinyl]-4-hydroxy-tetrah...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1ccc(Cl)cc1Cl Show InChI InChI=1S/C13H12Cl2O3/c14-9-3-1-8(12(15)5-9)2-4-11-6-10(16)7-13(17)18-11/h1-5,10-11,16H,6-7H2/b4-2+/t10-,11-/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 | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026129
(6-[2-(2,4-Dimethyl-phenyl)-vinyl]-4-hydroxy-tetrah...)Show SMILES Cc1ccc(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(C)c1 Show InChI InChI=1S/C15H18O3/c1-10-3-4-12(11(2)7-10)5-6-14-8-13(16)9-15(17)18-14/h3-7,13-14,16H,8-9H2,1-2H3/b6-5+/t13-,14-/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 | 2.99E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026116
(6-[2-(3,4-Dichloro-phenyl)-vinyl]-4-hydroxy-tetrah...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C13H12Cl2O3/c14-11-4-2-8(5-12(11)15)1-3-10-6-9(16)7-13(17)18-10/h1-5,9-10,16H,6-7H2/b3-1+/t9-,10-/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 | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026118
(6-{2-[2,4-Dichloro-6-(3,5,5-trimethyl-hexyloxy)-ph...)Show SMILES CC(CCOc1cc(Cl)cc(Cl)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)CC(C)(C)C Show InChI InChI=1S/C22H30Cl2O4/c1-14(13-22(2,3)4)7-8-27-20-10-15(23)9-19(24)18(20)6-5-17-11-16(25)12-21(26)28-17/h5-6,9-10,14,16-17,25H,7-8,11-13H2,1-4H3/b6-5+/t14?,16-,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 | 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026121
(6-(2-Biphenyl-4-yl-vinyl)-4-hydroxy-tetrahydro-pyr...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C19H18O3/c20-17-12-18(22-19(21)13-17)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-11,17-18,20H,12-13H2/b11-8+/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 | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026126
(6-[2-(2,3-Dichloro-phenyl)-vinyl]-4-hydroxy-tetrah...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1cccc(Cl)c1Cl Show InChI InChI=1S/C13H12Cl2O3/c14-11-3-1-2-8(13(11)15)4-5-10-6-9(16)7-12(17)18-10/h1-5,9-10,16H,6-7H2/b5-4+/t9-,10-/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 | 6.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026124
(6-{2-[2,4-Dichloro-6-(1-oxy-pyridin-4-ylmethoxy)-p...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1cc[n+]([O-])cc1 Show InChI InChI=1S/C19H17Cl2NO5/c20-13-7-17(21)16(2-1-15-9-14(23)10-19(24)27-15)18(8-13)26-11-12-3-5-22(25)6-4-12/h1-8,14-15,23H,9-11H2/b2-1+/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 | 1.17E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026113
(6-{2-[2,4-Dichloro-6-(1-oxy-pyridin-3-ylmethoxy)-p...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1OCc1ccc[n+]([O-])c1 Show InChI InChI=1S/C19H17Cl2NO5/c20-13-6-17(21)16(4-3-15-8-14(23)9-19(24)27-15)18(7-13)26-11-12-2-1-5-22(25)10-12/h1-7,10,14-15,23H,8-9,11H2/b4-3+/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 | 1.22E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50026106
(4-Hydroxy-6-styryl-tetrahydro-pyran-2-one | CHEMBL...)Show InChI InChI=1S/C13H14O3/c14-11-8-12(16-13(15)9-11)7-6-10-4-2-1-3-5-10/h1-7,11-12,14H,8-9H2/b7-6+/t11-,12-/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 | 2.84E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, partially purified rat liver HMG-CoA reductase |
J Med Chem 29: 159-69 (1986)
BindingDB Entry DOI: 10.7270/Q2WM1CFN |
More data for this
Ligand-Target Pair | |
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