Found 20 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)) | BDBM50003240
(2,2-Dimethyl-butyric acid 8-[2-(4-hydroxy-6-oxo-te...)Show SMILES CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12 |c:14,t:12| Show InChI InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,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
Patents
Similars
| PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, purified rat liver HMG-CoA reductase. |
J Med Chem 29: 849-52 (1986)
BindingDB Entry DOI: 10.7270/Q2BZ652M |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50226270
(CHEMBL3349956)Show SMILES CCC(CC)(CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12 |c:16,t:14| Show InChI InChI=1S/C27H42O5/c1-6-27(7-2,8-3)26(30)32-23-14-17(4)13-19-10-9-18(5)22(25(19)23)12-11-21-15-20(28)16-24(29)31-21/h9-10,13,17-18,20-23,25,28H,6-8,11-12,14-16H2,1-5H3/t17-,18-,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
| PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme activity at pH 8.5 in rabbit lung |
J Med Chem 29: 849-52 (1986)
BindingDB Entry DOI: 10.7270/Q2BZ652M |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50226272
(CHEMBL3349944)Show SMILES CCC(C)(CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12 |c:15,t:13| Show InChI InChI=1S/C26H40O5/c1-6-26(5,7-2)25(29)31-22-13-16(3)12-18-9-8-17(4)21(24(18)22)11-10-20-14-19(27)15-23(28)30-20/h8-9,12,16-17,19-22,24,27H,6-7,10-11,13-15H2,1-5H3/t16-,17-,19+,20+,21-,22-,24?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme activity at pH 8.5 in rabbit lung |
J Med Chem 29: 849-52 (1986)
BindingDB Entry DOI: 10.7270/Q2BZ652M |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50226271
(CHEMBL3349955)Show SMILES CCCC(CC)(CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12 |c:17,t:15| Show InChI InChI=1S/C28H44O5/c1-6-13-28(7-2,8-3)27(31)33-24-15-18(4)14-20-10-9-19(5)23(26(20)24)12-11-22-16-21(29)17-25(30)32-22/h9-10,14,18-19,21-24,26,29H,6-8,11-13,15-17H2,1-5H3/t18-,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
| PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme activity at pH 8.5 in rabbit lung |
J Med Chem 29: 849-52 (1986)
BindingDB Entry DOI: 10.7270/Q2BZ652M |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50003235
(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)Show SMILES [H][C@](C)(CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12 |c:14,t:12| 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
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme activity at pH 8.5 in rabbit lung |
J Med Chem 29: 849-52 (1986)
BindingDB Entry DOI: 10.7270/Q2BZ652M |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50024628
(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)Show SMILES [H][C@@](C)(CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12 |c:14,t:12| 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
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, purified rat liver HMG-CoA reductase. |
J Med Chem 29: 849-52 (1986)
BindingDB Entry DOI: 10.7270/Q2BZ652M |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50024637
(2,2-Diethyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tet...)Show SMILES C[C@@H]1C[C@H](OC(=O)C(C)(C)C)C2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1 |c:26,29| Show InChI InChI=1S/C27H42O5/c1-6-27(7-2,8-3)26(30)32-23-14-17(4)13-19-10-9-18(5)22(25(19)23)12-11-21-15-20(28)16-24(29)31-21/h9-10,13,17-18,20-23,25,28H,6-8,11-12,14-16H2,1-5H3/t17-,18-,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
| PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, purified rat liver HMG-CoA reductase. |
J Med Chem 29: 849-52 (1986)
BindingDB Entry DOI: 10.7270/Q2BZ652M |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50024642
(3-Methyl-but-3-enoic acid 8-[2-(4-hydroxy-6-oxo-te...)Show SMILES C[C@@H]1C[C@H](OC(=O)CC(C)=C)C2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1 |c:26,29| Show InChI InChI=1S/C24H34O5/c1-14(2)9-22(26)29-21-11-15(3)10-17-6-5-16(4)20(24(17)21)8-7-19-12-18(25)13-23(27)28-19/h5-6,10,15-16,18-21,24-25H,1,7-9,11-13H2,2-4H3/t15-,16-,18+,19?,20-,21-,24?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, purified rat liver HMG-CoA reductase. |
J Med Chem 29: 849-52 (1986)
BindingDB Entry DOI: 10.7270/Q2BZ652M |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50024630
(4,4,4-Trifluoro-3-methyl-butyric acid 8-[2-(4-hydr...)Show SMILES CC(CC(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12)C(F)(F)F |c:12,t:10| Show InChI InChI=1S/C24H33F3O5/c1-13-8-16-5-4-14(2)19(7-6-18-11-17(28)12-22(30)31-18)23(16)20(9-13)32-21(29)10-15(3)24(25,26)27/h4-5,8,13-15,17-20,23,28H,6-7,9-12H2,1-3H3/t13-,14-,15?,17+,18?,19-,20-,23?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, purified rat liver HMG-CoA reductase. |
J Med Chem 29: 849-52 (1986)
BindingDB Entry DOI: 10.7270/Q2BZ652M |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50024638
(Adamantane-1-carboxylic acid 8-[2-(4-hydroxy-6-oxo...)Show SMILES C[C@@H]1C[C@H](OC(=O)C23CC4CC(CC(C4)C2)C3)C2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1 |c:35,38,THB:12:11:8:15.13.14| Show InChI InChI=1S/C30H42O5/c1-17-7-22-4-3-18(2)25(6-5-24-12-23(31)13-27(32)34-24)28(22)26(8-17)35-29(33)30-14-19-9-20(15-30)11-21(10-19)16-30/h3-4,7,17-21,23-26,28,31H,5-6,8-16H2,1-2H3/t17-,18-,19?,20?,21?,23+,24?,25-,26-,28?,30?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, purified rat liver HMG-CoA reductase. |
J Med Chem 29: 849-52 (1986)
BindingDB Entry DOI: 10.7270/Q2BZ652M |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50024629
(3-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)Show SMILES CC(C)CC(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12 |c:13,t:11| Show InChI InChI=1S/C24H36O5/c1-14(2)9-22(26)29-21-11-15(3)10-17-6-5-16(4)20(24(17)21)8-7-19-12-18(25)13-23(27)28-19/h5-6,10,14-16,18-21,24-25H,7-9,11-13H2,1-4H3/t15-,16-,18+,19?,20-,21-,24?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, purified rat liver HMG-CoA reductase. |
J Med Chem 29: 849-52 (1986)
BindingDB Entry DOI: 10.7270/Q2BZ652M |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50024627
(2-Ethyl-2-methyl-butyric acid 8-[2-(4-hydroxy-6-ox...)Show SMILES CC(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12 |c:12,t:10| Show InChI InChI=1S/C26H40O5/c1-6-26(5,7-2)25(29)31-22-13-16(3)12-18-9-8-17(4)21(24(18)22)11-10-20-14-19(27)15-23(28)30-20/h8-9,12,16-17,19-22,24,27H,6-7,10-11,13-15H2,1-5H3/t16-,17-,19+,20?,21-,22-,24?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, purified rat liver HMG-CoA reductase. |
J Med Chem 29: 849-52 (1986)
BindingDB Entry DOI: 10.7270/Q2BZ652M |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50024633
(CHEMBL3349958 | Decanoic acid 8-[2-(4-hydroxy-6-ox...)Show SMILES CCCCC(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12 |c:13,t:11| Show InChI InChI=1S/C29H46O5/c1-4-5-6-7-8-9-10-11-27(31)34-26-17-20(2)16-22-13-12-21(3)25(29(22)26)15-14-24-18-23(30)19-28(32)33-24/h12-13,16,20-21,23-26,29-30H,4-11,14-15,17-19H2,1-3H3/t20-,21-,23+,24?,25-,26-,29?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, purified rat liver HMG-CoA reductase. |
J Med Chem 29: 849-52 (1986)
BindingDB Entry DOI: 10.7270/Q2BZ652M |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50009413
(CHEMBL3085466 | Phenyl-acetic acid 8-[2-(4-hydroxy...)Show SMILES [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)Cc1ccccc1 |c:6,9| Show InChI InChI=1S/C27H34O5/c1-17-12-20-9-8-18(2)23(11-10-22-15-21(28)16-26(30)31-22)27(20)24(13-17)32-25(29)14-19-6-4-3-5-7-19/h3-9,12,17-18,21-24,27-28H,10-11,13-16H2,1-2H3/t17-,18-,21+,22+,23-,24-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, purified rat liver HMG-CoA reductase. |
J Med Chem 29: 849-52 (1986)
BindingDB Entry DOI: 10.7270/Q2BZ652M |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50024639
(3-Methyl-but-2-enoic acid 8-[2-(4-hydroxy-6-oxo-te...)Show SMILES [#6]-[#6@@H]-1-[#6]-[#6@H](-[#8]-[#6](=O)\[#6]=[#6](/[#6])-[#6])-[#6]-2-[#6@@H](-[#6]-[#6]-[#6@@H]-3-[#6]-[#6@@H](-[#8])-[#6]-[#6](=O)-[#8]-3)-[#6@@H](-[#6])-[#6]=[#6]-[#6]-2=[#6]-1 |c:26,29| Show InChI InChI=1S/C24H34O5/c1-14(2)9-22(26)29-21-11-15(3)10-17-6-5-16(4)20(24(17)21)8-7-19-12-18(25)13-23(27)28-19/h5-6,9-10,15-16,18-21,24-25H,7-8,11-13H2,1-4H3/t15-,16-,18+,19?,20-,21-,24?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, purified rat liver HMG-CoA reductase. |
J Med Chem 29: 849-52 (1986)
BindingDB Entry DOI: 10.7270/Q2BZ652M |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50024635
(4-Fluoro-benzoic acid 8-[2-(4-hydroxy-6-oxo-tetrah...)Show SMILES C[C@@H]1C[C@H](OC(=O)c2ccc(F)cc2)C2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1 |c:30,33| Show InChI InChI=1S/C26H31FO5/c1-15-11-18-4-3-16(2)22(10-9-21-13-20(28)14-24(29)31-21)25(18)23(12-15)32-26(30)17-5-7-19(27)8-6-17/h3-8,11,15-16,20-23,25,28H,9-10,12-14H2,1-2H3/t15-,16-,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
| PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, purified rat liver HMG-CoA reductase. |
J Med Chem 29: 849-52 (1986)
BindingDB Entry DOI: 10.7270/Q2BZ652M |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50024636
(CHEMBL3349953 | Cyclopropanecarboxylic acid 8-[2-(...)Show SMILES C[C@@H]1C[C@H](OC(=O)C2CC2)C2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1 |c:26,29| Show InChI InChI=1S/C23H32O5/c1-13-9-16-4-3-14(2)19(8-7-18-11-17(24)12-21(25)27-18)22(16)20(10-13)28-23(26)15-5-6-15/h3-4,9,13-15,17-20,22,24H,5-8,10-12H2,1-2H3/t13-,14-,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
| PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, purified rat liver HMG-CoA reductase. |
J Med Chem 29: 849-52 (1986)
BindingDB Entry DOI: 10.7270/Q2BZ652M |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50024631
(CHEMBL3349947 | Carbonic acid 8-[2-(4-hydroxy-6-ox...)Show SMILES C[C@@H]1C[C@H](OC(=O)Oc2ccccc2)C2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1 |c:30,33| Show InChI InChI=1S/C26H32O6/c1-16-12-18-9-8-17(2)22(11-10-21-14-19(27)15-24(28)30-21)25(18)23(13-16)32-26(29)31-20-6-4-3-5-7-20/h3-9,12,16-17,19,21-23,25,27H,10-11,13-15H2,1-2H3/t16-,17-,19+,21?,22-,23-,25?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, purified rat liver HMG-CoA reductase. |
J Med Chem 29: 849-52 (1986)
BindingDB Entry DOI: 10.7270/Q2BZ652M |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50024626
(CHEMBL3349957 | Pentanoic acid 8-[2-(4-hydroxy-6-o...)Show SMILES C[C@@H]1C[C@H](OC(C)=O)C2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1 |c:23,26| Show InChI InChI=1S/C24H36O5/c1-4-5-6-22(26)29-21-12-15(2)11-17-8-7-16(3)20(24(17)21)10-9-19-13-18(25)14-23(27)28-19/h7-8,11,15-16,18-21,24-25H,4-6,9-10,12-14H2,1-3H3/t15-,16-,18+,19?,20-,21-,24?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 269 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, purified rat liver HMG-CoA reductase. |
J Med Chem 29: 849-52 (1986)
BindingDB Entry DOI: 10.7270/Q2BZ652M |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50024634
(Acetic acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran...)Show SMILES CCCCCCCCCC(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12 |c:18,t:16| Show InChI InChI=1S/C21H30O5/c1-12-8-15-5-4-13(2)18(21(15)19(9-12)25-14(3)22)7-6-17-10-16(23)11-20(24)26-17/h4-5,8,12-13,16-19,21,23H,6-7,9-11H2,1-3H3/t12-,13-,16+,17?,18-,19-,21?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 295 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of solubilized, purified rat liver HMG-CoA reductase. |
J Med Chem 29: 849-52 (1986)
BindingDB Entry DOI: 10.7270/Q2BZ652M |
More data for this
Ligand-Target Pair | |
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