Found 19 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)) | BDBM50280355
(2,2-Dimethyl-butyric acid (1S,3S,4aR,7S,8S,8aS)-8-...)Show SMILES CCC(C)(C)C(=O)O[C@H]1C[C@H](C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12)\C=C\C |c:13| Show InChI InChI=1S/C27H42O5/c1-6-8-18-13-19-10-9-17(3)22(12-11-21-15-20(28)16-24(29)31-21)25(19)23(14-18)32-26(30)27(4,5)7-2/h6,8-10,17-23,25,28H,7,11-16H2,1-5H3/b8-6+/t17-,18-,19-,20+,21+,22-,23-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of microsomal rat liver HMG-CoA reductase |
Bioorg Med Chem Lett 2: 223-228 (1992)
Article DOI: 10.1016/S0960-894X(01)81069-6
BindingDB Entry DOI: 10.7270/Q28C9W59 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50280362
((S)-2-Methyl-butyric acid (1S,3S,4aR,7S,8S,8aS)-8-...)Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12)\C=C\C |c:12| Show InChI InChI=1S/C26H40O5/c1-5-7-18-12-19-9-8-17(4)22(11-10-21-14-20(27)15-24(28)30-21)25(19)23(13-18)31-26(29)16(3)6-2/h5,7-9,16-23,25,27H,6,10-15H2,1-4H3/b7-5+/t16-,17-,18-,19-,20+,21+,22-,23-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of microsomal rat liver HMG-CoA reductase |
Bioorg Med Chem Lett 2: 223-228 (1992)
Article DOI: 10.1016/S0960-894X(01)81069-6
BindingDB Entry DOI: 10.7270/Q28C9W59 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50280356
(2,2-Dimethyl-butyric acid (1S,3S,4aR,7S,8S,8aS)-8-...)Show SMILES CCC(C)(C)C(=O)O[C@H]1C[C@](C)(C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12)\C=C\C |c:14| Show InChI InChI=1S/C28H44O5/c1-7-13-28(6)16-19-10-9-18(3)22(12-11-21-14-20(29)15-24(30)32-21)25(19)23(17-28)33-26(31)27(4,5)8-2/h7,9-10,13,18-23,25,29H,8,11-12,14-17H2,1-6H3/b13-7+/t18-,19-,20+,21+,22-,23-,25-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of microsomal rat liver HMG-CoA reductase |
Bioorg Med Chem Lett 2: 223-228 (1992)
Article DOI: 10.1016/S0960-894X(01)81069-6
BindingDB Entry DOI: 10.7270/Q28C9W59 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50280350
((S)-2-Methyl-butyric acid (1S,3S,4aR,7S,8S,8aS)-8-...)Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12)\C=C\Cc1ccccc1 |c:12| Show InChI InChI=1S/C32H44O5/c1-4-21(2)32(35)37-29-18-24(12-8-11-23-9-6-5-7-10-23)17-25-14-13-22(3)28(31(25)29)16-15-27-19-26(33)20-30(34)36-27/h5-10,12-14,21-22,24-29,31,33H,4,11,15-20H2,1-3H3/b12-8+/t21-,22-,24-,25-,26+,27+,28-,29-,31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of microsomal rat liver HMG-CoA reductase |
Bioorg Med Chem Lett 2: 223-228 (1992)
Article DOI: 10.1016/S0960-894X(01)81069-6
BindingDB Entry DOI: 10.7270/Q28C9W59 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50280364
(2,2-Dimethyl-butyric acid (1S,3S,4aR,7S,8S,8aS)-8-...)Show SMILES CCC\C(C)=C\[C@@H]1C[C@H](OC(=O)C(C)(C)CC)[C@H]2[C@H](C1)C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1 |c:21| Show InChI InChI=1S/C30H48O5/c1-7-9-19(3)14-21-15-22-11-10-20(4)25(13-12-24-17-23(31)18-27(32)34-24)28(22)26(16-21)35-29(33)30(5,6)8-2/h10-11,14,20-26,28,31H,7-9,12-13,15-18H2,1-6H3/b19-14+/t20-,21-,22-,23+,24+,25-,26-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of microsomal rat liver HMG-CoA reductase |
Bioorg Med Chem Lett 2: 223-228 (1992)
Article DOI: 10.1016/S0960-894X(01)81069-6
BindingDB Entry DOI: 10.7270/Q28C9W59 |
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
| Article
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of microsomal rat liver HMG-CoA reductase |
Bioorg Med Chem Lett 2: 223-228 (1992)
Article DOI: 10.1016/S0960-894X(01)81069-6
BindingDB Entry DOI: 10.7270/Q28C9W59 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50280357
(2,2-Dimethyl-butyric acid (1S,3S,4aR,7S,8S,8aS)-3-...)Show SMILES CC\C=C\[C@@H]1C[C@H](OC(=O)C(C)(C)CC)[C@H]2[C@H](C1)C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1 |c:19| Show InChI InChI=1S/C28H44O5/c1-6-8-9-19-14-20-11-10-18(3)23(13-12-22-16-21(29)17-25(30)32-22)26(20)24(15-19)33-27(31)28(4,5)7-2/h8-11,18-24,26,29H,6-7,12-17H2,1-5H3/b9-8+/t18-,19-,20-,21+,22+,23-,24-,26-/m0/s1 | 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
Inhibition of microsomal rat liver HMG-CoA reductase |
Bioorg Med Chem Lett 2: 223-228 (1992)
Article DOI: 10.1016/S0960-894X(01)81069-6
BindingDB Entry DOI: 10.7270/Q28C9W59 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50280363
(2,2-Dimethyl-pentanoic acid (1S,3S,4aR,7S,8S,8aS)-...)Show SMILES CCCC(C)(C)C(=O)O[C@H]1C[C@H](C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12)\C=C/C |c:14| Show InChI InChI=1S/C28H44O5/c1-6-8-19-14-20-10-9-18(3)23(12-11-22-16-21(29)17-25(30)32-22)26(20)24(15-19)33-27(31)28(4,5)13-7-2/h6,8-10,18-24,26,29H,7,11-17H2,1-5H3/b8-6-/t18-,19-,20-,21+,22+,23-,24-,26-/m0/s1 | 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
Inhibition of microsomal rat liver HMG-CoA reductase |
Bioorg Med Chem Lett 2: 223-228 (1992)
Article DOI: 10.1016/S0960-894X(01)81069-6
BindingDB Entry DOI: 10.7270/Q28C9W59 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50280349
(2,2-Dimethyl-butyric acid (1S,3S,4aR,7S,8S,8aS)-8-...)Show SMILES CCC(C)(C)C(=O)O[C@H]1C[C@H](C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12)\C=C\Cc1ccccc1 |c:13| Show InChI InChI=1S/C33H46O5/c1-5-33(3,4)32(36)38-29-19-24(13-9-12-23-10-7-6-8-11-23)18-25-15-14-22(2)28(31(25)29)17-16-27-20-26(34)21-30(35)37-27/h6-11,13-15,22,24-29,31,34H,5,12,16-21H2,1-4H3/b13-9+/t22-,24-,25-,26+,27+,28-,29-,31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of microsomal rat liver HMG-CoA reductase |
Bioorg Med Chem Lett 2: 223-228 (1992)
Article DOI: 10.1016/S0960-894X(01)81069-6
BindingDB Entry DOI: 10.7270/Q28C9W59 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50280352
((S)-2-Methyl-butyric acid (1S,3S,4aR,7S,8S,8aS)-8-...)Show SMILES CCC\C(C)=C\[C@@H]1C[C@H](OC(=O)[C@@H](C)CC)[C@H]2[C@H](C1)C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1 |c:20| Show InChI InChI=1S/C29H46O5/c1-6-8-18(3)13-21-14-22-10-9-20(5)25(12-11-24-16-23(30)17-27(31)33-24)28(22)26(15-21)34-29(32)19(4)7-2/h9-10,13,19-26,28,30H,6-8,11-12,14-17H2,1-5H3/b18-13+/t19-,20-,21-,22-,23+,24+,25-,26-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of microsomal rat liver HMG-CoA reductase |
Bioorg Med Chem Lett 2: 223-228 (1992)
Article DOI: 10.1016/S0960-894X(01)81069-6
BindingDB Entry DOI: 10.7270/Q28C9W59 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50280359
((S)-2-Methyl-butyric acid (1S,3S,4aR,7S,8S,8aS)-8-...)Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12)\C=C/C |c:12| Show InChI InChI=1S/C26H40O5/c1-5-7-18-12-19-9-8-17(4)22(11-10-21-14-20(27)15-24(28)30-21)25(19)23(13-18)31-26(29)16(3)6-2/h5,7-9,16-23,25,27H,6,10-15H2,1-4H3/b7-5-/t16-,17-,18-,19-,20+,21+,22-,23-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of microsomal rat liver HMG-CoA reductase |
Bioorg Med Chem Lett 2: 223-228 (1992)
Article DOI: 10.1016/S0960-894X(01)81069-6
BindingDB Entry DOI: 10.7270/Q28C9W59 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50280353
((S)-2-Methyl-butyric acid (1S,3S,4aR,7S,8S,8aS)-8-...)Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13| Show InChI InChI=1S/C24H38O5/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/h6-7,14-21,23,25H,5,8-13H2,1-4H3/t14-,15-,16-,17-,18+,19+,20-,21-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of microsomal rat liver HMG-CoA reductase |
Bioorg Med Chem Lett 2: 223-228 (1992)
Article DOI: 10.1016/S0960-894X(01)81069-6
BindingDB Entry DOI: 10.7270/Q28C9W59 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50280348
((R)-7-[(1S,2S,4aR,6S,8S,8aS)-2,6-Dimethyl-8-(2-met...)Show SMILES CCC(C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CCC(=O)C[C@@H](O)CC(=O)OC)[C@@H]12 |c:13| Show InChI InChI=1S/C25H40O6/c1-6-16(3)25(29)31-22-12-15(2)11-18-8-7-17(4)21(24(18)22)10-9-19(26)13-20(27)14-23(28)30-5/h7-8,15-18,20-22,24,27H,6,9-14H2,1-5H3/t15-,16?,17-,18-,20+,21-,22-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of microsomal rat liver HMG-CoA reductase |
Bioorg Med Chem Lett 2: 223-228 (1992)
Article DOI: 10.1016/S0960-894X(01)81069-6
BindingDB Entry DOI: 10.7270/Q28C9W59 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50280360
(2,2-Dimethyl-butyric acid (1S,3S,4aR,7S,8S,8aS)-8-...)Show SMILES CCC(C)(C)C(=O)O[C@H]1C[C@H](C[C@@H]2C=C[C@H](C)[C@H](\C=C\[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12)\C=C\C |c:13| Show InChI InChI=1S/C27H40O5/c1-6-8-18-13-19-10-9-17(3)22(12-11-21-15-20(28)16-24(29)31-21)25(19)23(14-18)32-26(30)27(4,5)7-2/h6,8-12,17-23,25,28H,7,13-16H2,1-5H3/b8-6+,12-11+/t17-,18-,19-,20+,21+,22-,23-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of microsomal rat liver HMG-CoA reductase |
Bioorg Med Chem Lett 2: 223-228 (1992)
Article DOI: 10.1016/S0960-894X(01)81069-6
BindingDB Entry DOI: 10.7270/Q28C9W59 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50280347
(2-Methyl-butyric acid (1S,3S,4aR,7S,8S,8aS)-8-[2-(...)Show SMILES CCC(C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C(C)C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13| Show InChI InChI=1S/C26H42O5/c1-6-17(5)26(29)31-23-12-16(4)11-18-7-9-21(15(2)3)22(25(18)23)10-8-20-13-19(27)14-24(28)30-20/h7,9,15-23,25,27H,6,8,10-14H2,1-5H3/t16-,17?,18-,19+,20+,21+,22-,23-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
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
Inhibition of microsomal rat liver HMG-CoA reductase |
Bioorg Med Chem Lett 2: 223-228 (1992)
Article DOI: 10.1016/S0960-894X(01)81069-6
BindingDB Entry DOI: 10.7270/Q28C9W59 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50280351
(2,2-Dimethyl-butyric acid (1S,3S,4aR,7S,8S,8aS)-8-...)Show SMILES CCC(C)(C)C(=O)O[C@H]1C[C@H](C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12)\C=C\C(C)C |c:13| Show InChI InChI=1S/C29H46O5/c1-7-29(5,6)28(32)34-25-15-20(10-8-18(2)3)14-21-11-9-19(4)24(27(21)25)13-12-23-16-22(30)17-26(31)33-23/h8-11,18-25,27,30H,7,12-17H2,1-6H3/b10-8+/t19-,20-,21-,22+,23+,24-,25-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 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 microsomal rat liver HMG-CoA reductase |
Bioorg Med Chem Lett 2: 223-228 (1992)
Article DOI: 10.1016/S0960-894X(01)81069-6
BindingDB Entry DOI: 10.7270/Q28C9W59 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50280361
(Acetic acid (1S,3S,4aR,7S,8S,8aS)-8-[2-((2R,4R)-4-...)Show SMILES C\C=C/[C@@H]1C[C@H](OC(C)=O)[C@H]2[C@H](C1)C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1 |c:14| Show InChI InChI=1S/C23H34O5/c1-4-5-16-10-17-7-6-14(2)20(23(17)21(11-16)27-15(3)24)9-8-19-12-18(25)13-22(26)28-19/h4-7,14,16-21,23,25H,8-13H2,1-3H3/b5-4-/t14-,16-,17-,18+,19+,20-,21-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of microsomal rat liver HMG-CoA reductase |
Bioorg Med Chem Lett 2: 223-228 (1992)
Article DOI: 10.1016/S0960-894X(01)81069-6
BindingDB Entry DOI: 10.7270/Q28C9W59 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50280358
(2-Methyl-butyric acid (1S,3S,4aR,8S,8aR)-8-[2-((2R...)Show SMILES CCC(C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=CC[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13| Show InChI InChI=1S/C23H36O5/c1-4-15(3)23(26)28-20-11-14(2)10-17-7-5-6-16(22(17)20)8-9-19-12-18(24)13-21(25)27-19/h5,7,14-20,22,24H,4,6,8-13H2,1-3H3/t14-,15?,16+,17-,18+,19+,20-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of microsomal rat liver HMG-CoA reductase |
Bioorg Med Chem Lett 2: 223-228 (1992)
Article DOI: 10.1016/S0960-894X(01)81069-6
BindingDB Entry DOI: 10.7270/Q28C9W59 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50280354
((R)-3-Hydroxy-7-[(1S,2S,4aR,6S,8S,8aS)-2-isopropyl...)Show SMILES CCC(C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C(C)C)[C@H](CCC(=O)C[C@@H](O)CC(=O)OC)[C@@H]12 |c:13| Show InChI InChI=1S/C27H44O6/c1-7-18(5)27(31)33-24-13-17(4)12-19-8-10-22(16(2)3)23(26(19)24)11-9-20(28)14-21(29)15-25(30)32-6/h8,10,16-19,21-24,26,29H,7,9,11-15H2,1-6H3/t17-,18?,19-,21+,22+,23-,24-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of microsomal rat liver HMG-CoA reductase |
Bioorg Med Chem Lett 2: 223-228 (1992)
Article DOI: 10.1016/S0960-894X(01)81069-6
BindingDB Entry DOI: 10.7270/Q28C9W59 |
More data for this
Ligand-Target Pair | |
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