Found 59 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 |
|---|
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406608
(CHEMBL420439)Show SMILES CCc1c(nc(C(C)C)c(CCP(O)([O-])=CC(=O)CC([O-])=O)c1-c1ccc(F)cc1)-c1ccccc1 Show InChI InChI=1S/C28H31FNO5P/c1-4-23-26(19-10-12-21(29)13-11-19)24(14-15-36(34,35)17-22(31)16-25(32)33)27(18(2)3)30-28(23)20-8-6-5-7-9-20/h5-13,17-18H,4,14-16H2,1-3H3,(H3,31,32,33,34,35)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406600
(CHEMBL94961)Show SMILES CC(C)c1nc(c(C)c(-c2ccc(F)cc2)c1CCP(O)([O-])=CC(=O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C27H29FNO5P/c1-17(2)26-23(13-14-35(33,34)16-22(30)15-24(31)32)25(19-9-11-21(28)12-10-19)18(3)27(29-26)20-7-5-4-6-8-20/h4-12,16-17H,13-15H2,1-3H3,(H3,30,31,32,33,34)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406579
(CHEMBL97121)Show SMILES CC(C)c1nc-2c(CCCc3ccccc-23)c(c1COP([O-])(=O)C[C@H](O)CC([O-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C28H31FNO6P/c1-17(2)27-24(15-36-37(34,35)16-21(31)14-25(32)33)26(19-10-12-20(29)13-11-19)23-9-5-7-18-6-3-4-8-22(18)28(23)30-27/h3-4,6,8,10-13,17,21,31H,5,7,9,14-16H2,1-2H3,(H,32,33)(H,34,35)/p-2/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibition of rat hepatic HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406569
(CHEMBL319975)Show SMILES CC(C)c1nc-2c(CCCc3ccccc-23)c(c1CCP(O)([O-])=CC(=O)CC([O-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C29H31FNO5P/c1-18(2)28-25(14-15-37(35,36)17-22(32)16-26(33)34)27(20-10-12-21(30)13-11-20)24-9-5-7-19-6-3-4-8-23(19)29(24)31-28/h3-4,6,8,10-13,17-18H,5,7,9,14-16H2,1-2H3,(H3,32,33,34,35,36)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406612
(CHEMBL94800)Show SMILES Cc1c(nc(C2CC2)c(COP([O-])(=O)C[C@H](O)CC([O-])=O)c1-c1ccc(F)cc1)-c1ccccc1 Show InChI InChI=1S/C26H27FNO6P/c1-16-24(17-9-11-20(27)12-10-17)22(14-34-35(32,33)15-21(29)13-23(30)31)26(19-7-8-19)28-25(16)18-5-3-2-4-6-18/h2-6,9-12,19,21,29H,7-8,13-15H2,1H3,(H,30,31)(H,32,33)/p-2/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibition of rat hepatic HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406593
(CHEMBL329478)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1COP([O-])(=O)C[C@H](O)CC([O-])=O)C(C)(C)C Show InChI InChI=1S/C23H31FNO6P/c1-14(2)22-19(12-31-32(29,30)13-17(26)10-21(27)28)18(11-20(25-22)23(3,4)5)15-6-8-16(24)9-7-15/h6-9,11,14,17,26H,10,12-13H2,1-5H3,(H,27,28)(H,29,30)/p-2/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibition of rat hepatic HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406578
(CHEMBL94737)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1CCP(O)([O-])=CC(=O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C26H27FNO5P/c1-17(2)26-22(12-13-34(32,33)16-21(29)14-25(30)31)23(18-8-10-20(27)11-9-18)15-24(28-26)19-6-4-3-5-7-19/h3-11,15-17H,12-14H2,1-2H3,(H3,29,30,31,32,33)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406589
(CHEMBL420446)Show SMILES Cc1c(nc(C2CC2)c(CCP(O)([O-])=CC(=O)CC([O-])=O)c1-c1ccc(F)cc1)-c1ccccc1 Show InChI InChI=1S/C27H27FNO5P/c1-17-25(18-9-11-21(28)12-10-18)23(13-14-35(33,34)16-22(30)15-24(31)32)27(20-7-8-20)29-26(17)19-5-3-2-4-6-19/h2-6,9-12,16,20H,7-8,13-15H2,1H3,(H3,30,31,32,33,34)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406603
(CHEMBL96953)Show SMILES CCc1c(nc(C(C)C)c(COP([O-])(=O)C[C@H](O)CC([O-])=O)c1-c1ccc(F)cc1)-c1ccccc1 Show InChI InChI=1S/C27H31FNO6P/c1-4-22-25(18-10-12-20(28)13-11-18)23(15-35-36(33,34)16-21(30)14-24(31)32)26(17(2)3)29-27(22)19-8-6-5-7-9-19/h5-13,17,21,30H,4,14-16H2,1-3H3,(H,31,32)(H,33,34)/p-2/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibition of rat hepatic HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406570
(CHEMBL419327)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1CCP(O)([O-])=CC(=O)CC([O-])=O)C(C)(C)C Show InChI InChI=1S/C24H31FNO5P/c1-15(2)23-19(10-11-32(30,31)14-18(27)12-22(28)29)20(13-21(26-23)24(3,4)5)16-6-8-17(25)9-7-16/h6-9,13-15H,10-12H2,1-5H3,(H3,27,28,29,30,31)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406573
(CHEMBL94353)Show SMILES CC(C)c1nc(cc(c1CCP(O)([O-])=CC(=O)CC([O-])=O)-c1ccc(F)cc1C)-c1ccccc1 Show InChI InChI=1S/C27H29FNO5P/c1-17(2)27-23(11-12-35(33,34)16-21(30)14-26(31)32)24(22-10-9-20(28)13-18(22)3)15-25(29-27)19-7-5-4-6-8-19/h4-10,13,15-17H,11-12,14H2,1-3H3,(H3,30,31,32,33,34)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406568
(CHEMBL418776)Show SMILES CC[C@H](C)C(=O)O[C@@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@H](O)CC([O-])=O)C12 Show InChI InChI=1S/C24H38O6/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28/h6-7,10,14-16,18-21,23,25-26H,5,8-9,11-13H2,1-4H3,(H,27,28)/p-1/t14-,15-,16-,18+,19-,20-,21+,23?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibition of rat hepatic HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406590
(CHEMBL96846)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O)C1CC1 Show InChI InChI=1S/C23H25FNO5P/c1-14(2)23-19(9-10-31(29,30)13-18(26)11-22(27)28)20(12-21(25-23)16-3-4-16)15-5-7-17(24)8-6-15/h5-10,12-14,16H,3-4,11H2,1-2H3,(H3,26,27,28,29,30)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406604
(CHEMBL97809)Show SMILES CC(C)c1nc(c(C)c(-c2ccc(F)cc2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C27H27FNO5P/c1-17(2)26-23(13-14-35(33,34)16-22(30)15-24(31)32)25(19-9-11-21(28)12-10-19)18(3)27(29-26)20-7-5-4-6-8-20/h4-14,16-17H,15H2,1-3H3,(H3,30,31,32,33,34)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406599
(CHEMBL328618)Show SMILES Cc1c(nc(C2CC2)c(C=CP(O)([O-])=CC(=O)CC([O-])=O)c1-c1ccc(F)cc1)-c1ccccc1 Show InChI InChI=1S/C27H25FNO5P/c1-17-25(18-9-11-21(28)12-10-18)23(13-14-35(33,34)16-22(30)15-24(31)32)27(20-7-8-20)29-26(17)19-5-3-2-4-6-19/h2-6,9-14,16,20H,7-8,15H2,1H3,(H3,30,31,32,33,34)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406611
(CHEMBL97007)Show SMILES CCc1nc(c(C)c(-c2ccc(F)cc2)c1CCP(O)([O-])=CC(=O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C26H27FNO5P/c1-3-23-22(13-14-34(32,33)16-21(29)15-24(30)31)25(18-9-11-20(27)12-10-18)17(2)26(28-23)19-7-5-4-6-8-19/h4-12,16H,3,13-15H2,1-2H3,(H3,29,30,31,32,33)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406563
(CHEMBL94584)Show SMILES CC(C)c1nc(c(C)c(-c2ccc(F)cc2)c1COP([O-])(=O)C[C@H](O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C26H29FNO6P/c1-16(2)25-22(14-34-35(32,33)15-21(29)13-23(30)31)24(18-9-11-20(27)12-10-18)17(3)26(28-25)19-7-5-4-6-8-19/h4-12,16,21,29H,13-15H2,1-3H3,(H,30,31)(H,32,33)/p-2/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibition of rat hepatic HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406559
(CHEMBL91960)Show SMILES CCc1c(nc(C(C)C)c(C=CP(O)([O-])=CC(=O)CC([O-])=O)c1-c1ccc(F)cc1)-c1ccccc1 Show InChI InChI=1S/C28H29FNO5P/c1-4-23-26(19-10-12-21(29)13-11-19)24(14-15-36(34,35)17-22(31)16-25(32)33)27(18(2)3)30-28(23)20-8-6-5-7-9-20/h5-15,17-18H,4,16H2,1-3H3,(H3,31,32,33,34,35)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406558
(CHEMBL95177)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O)C(C)(C)C Show InChI InChI=1S/C24H29FNO5P/c1-15(2)23-19(10-11-32(30,31)14-18(27)12-22(28)29)20(13-21(26-23)24(3,4)5)16-6-8-17(25)9-7-16/h6-11,13-15H,12H2,1-5H3,(H3,27,28,29,30,31)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406560
(CHEMBL420445)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O)-c1cc(F)c(F)c(F)c1F Show InChI InChI=1S/C26H21F5NO5P/c1-13(2)26-17(7-8-38(36,37)12-16(33)9-22(34)35)18(14-3-5-15(27)6-4-14)11-21(32-26)19-10-20(28)24(30)25(31)23(19)29/h3-8,10-13H,9H2,1-2H3,(H3,33,34,35,36,37)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406601
(CHEMBL316477)Show SMILES CC(C)c1nc(c(C)c(-c2ccc(F)cc2)c1CCP(O)([O-])CC(=O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C27H30FNO5P/c1-17(2)26-23(13-14-35(33,34)16-22(30)15-24(31)32)25(19-9-11-21(28)12-10-19)18(3)27(29-26)20-7-5-4-6-8-20/h4-12,17,33,35H,13-16H2,1-3H3,(H,31,32)/q-1/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406576
(CHEMBL97861)Show SMILES Cc1c(nc(C2CC2)c(CCP(O)([O-])CC(=O)CC([O-])=O)c1-c1ccc(F)cc1)-c1ccccc1 Show InChI InChI=1S/C27H28FNO5P/c1-17-25(18-9-11-21(28)12-10-18)23(13-14-35(33,34)16-22(30)15-24(31)32)27(20-7-8-20)29-26(17)19-5-3-2-4-6-19/h2-6,9-12,20,33,35H,7-8,13-16H2,1H3,(H,31,32)/q-1/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406594
(CHEMBL94533)Show SMILES CC(C)c1nc(-c2ccccc2)c(C(C)C)c(-c2ccc(F)cc2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O Show InChI InChI=1S/C29H31FNO5P/c1-18(2)26-27(20-10-12-22(30)13-11-20)24(14-15-37(35,36)17-23(32)16-25(33)34)28(19(3)4)31-29(26)21-8-6-5-7-9-21/h5-15,17-19H,16H2,1-4H3,(H3,32,33,34,35,36)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406574
(CHEMBL94994)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1COP([O-])(=O)C[C@H](O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C25H27FNO6P/c1-16(2)25-22(14-33-34(31,32)15-20(28)12-24(29)30)21(17-8-10-19(26)11-9-17)13-23(27-25)18-6-4-3-5-7-18/h3-11,13,16,20,28H,12,14-15H2,1-2H3,(H,29,30)(H,31,32)/p-2/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibition of rat hepatic HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406602
(CHEMBL98674)Show SMILES CC(C)c1nc-2c(CCCc3ccccc-23)c(-c2ccc(F)cc2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O Show InChI InChI=1S/C29H29FNO5P/c1-18(2)28-25(14-15-37(35,36)17-22(32)16-26(33)34)27(20-10-12-21(30)13-11-20)24-9-5-7-19-6-3-4-8-23(19)29(24)31-28/h3-4,6,8,10-15,17-18H,5,7,9,16H2,1-2H3,(H3,32,33,34,35,36)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406587
(CHEMBL97735)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O)-c1cccs1 Show InChI InChI=1S/C24H23FNO5PS/c1-15(2)24-19(9-10-32(30,31)14-18(27)12-23(28)29)20(16-5-7-17(25)8-6-16)13-21(26-24)22-4-3-11-33-22/h3-11,13-15H,12H2,1-2H3,(H3,27,28,29,30,31)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406562
(CHEMBL318407)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H31FNO5P/c1-22(2)33-28(17-18-41(39,40)21-27(36)19-31(37)38)29(23-13-15-26(34)16-14-23)20-30(35-33)32(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-18,20-22,32H,19H2,1-2H3,(H3,36,37,38,39,40)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406610
(CHEMBL93349)Show SMILES CC(C)c1nc(-c2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)c1C#CP([O-])(=O)C[C@H](O)CC([O-])=O Show InChI InChI=1S/C32H29FNO5P/c1-21(2)31-27(17-18-40(38,39)20-26(35)19-28(36)37)29(23-13-15-25(33)16-14-23)30(22-9-5-3-6-10-22)32(34-31)24-11-7-4-8-12-24/h3-16,21,26,35H,19-20H2,1-2H3,(H,36,37)(H,38,39)/p-2/t26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406584
(CHEMBL329528)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1CCP(O)([O-])CC(=O)CC([O-])=O)C(C)(C)C Show InChI InChI=1S/C24H32FNO5P/c1-15(2)23-19(10-11-32(30,31)14-18(27)12-22(28)29)20(13-21(26-23)24(3,4)5)16-6-8-17(25)9-7-16/h6-9,13,15,30,32H,10-12,14H2,1-5H3,(H,28,29)/q-1/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406598
(CHEMBL328241)Show SMILES CC(C)c1nc-2c(CCCc3ccccc-23)c(-c2ccc(F)cc2)c1CCP(O)([O-])CC(=O)CC([O-])=O Show InChI InChI=1S/C29H32FNO5P/c1-18(2)28-25(14-15-37(35,36)17-22(32)16-26(33)34)27(20-10-12-21(30)13-11-20)24-9-5-7-19-6-3-4-8-23(19)29(24)31-28/h3-4,6,8,10-13,18,35,37H,5,7,9,14-17H2,1-2H3,(H,33,34)/q-1/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406580
(CHEMBL93502)Show SMILES CCc1c(nc(C(C)C)c(CCP(O)([O-])CC(=O)CC([O-])=O)c1-c1ccc(F)cc1)-c1ccccc1 Show InChI InChI=1S/C28H32FNO5P/c1-4-23-26(19-10-12-21(29)13-11-19)24(14-15-36(34,35)17-22(31)16-25(32)33)27(18(2)3)30-28(23)20-8-6-5-7-9-20/h5-13,18,34,36H,4,14-17H2,1-3H3,(H,32,33)/q-1/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406575
(CHEMBL92891)Show SMILES CCc1nc(c(C)c(-c2ccc(F)cc2)c1COP([O-])(=O)C[C@H](O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C25H27FNO6P/c1-3-22-21(14-33-34(31,32)15-20(28)13-23(29)30)24(17-9-11-19(26)12-10-17)16(2)25(27-22)18-7-5-4-6-8-18/h4-12,20,28H,3,13-15H2,1-2H3,(H,29,30)(H,31,32)/p-2/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibition of rat hepatic HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406586
(CHEMBL94765)Show SMILES CC(C)c1nc(cc(-c2ccc(F)c(C)c2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C27H27FNO5P/c1-17(2)27-22(11-12-35(33,34)16-21(30)14-26(31)32)23(20-9-10-24(28)18(3)13-20)15-25(29-27)19-7-5-4-6-8-19/h4-13,15-17H,14H2,1-3H3,(H3,30,31,32,33,34)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50368146
(CS-514 | Eptastatin Sodium | PRAVASTATIN SODIUM | ...)Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12 Show InChI InChI=1/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/p-1/t13-,14-,16+,17+,18+,19-,20-,22-/s2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| Purchase
CHEBI
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibition of rat hepatic HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406565
(CHEMBL432218)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O)-c1cccc2ccccc12 Show InChI InChI=1S/C30H27FNO5P/c1-19(2)30-26(14-15-38(36,37)18-23(33)16-29(34)35)27(21-10-12-22(31)13-11-21)17-28(32-30)25-9-5-7-20-6-3-4-8-24(20)25/h3-15,17-19H,16H2,1-2H3,(H3,33,34,35,36,37)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406567
(CHEMBL94575)Show SMILES O[C@H](CC([O-])=O)CP([O-])(=O)OCc1c(cc(nc1C1CC1)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H25FNO6P/c26-19-10-8-16(9-11-19)21-13-23(17-4-2-1-3-5-17)27-25(18-6-7-18)22(21)14-33-34(31,32)15-20(28)12-24(29)30/h1-5,8-11,13,18,20,28H,6-7,12,14-15H2,(H,29,30)(H,31,32)/p-2/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibition of rat hepatic HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406597
(CHEMBL97055)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O)-c1ccccc1C Show InChI InChI=1S/C27H27FNO5P/c1-17(2)27-23(12-13-35(33,34)16-21(30)14-26(31)32)24(19-8-10-20(28)11-9-19)15-25(29-27)22-7-5-4-6-18(22)3/h4-13,15-17H,14H2,1-3H3,(H3,30,31,32,33,34)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406583
(CHEMBL430665)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O)C12CC3CC(CC(C3)C1)C2 Show InChI InChI=1S/C30H35FNO5P/c1-18(2)29-25(7-8-38(36,37)17-24(33)12-28(34)35)26(22-3-5-23(31)6-4-22)13-27(32-29)30-14-19-9-20(15-30)11-21(10-19)16-30/h3-8,13,17-21H,9-12,14-16H2,1-2H3,(H3,33,34,35,36,37)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406585
(CHEMBL328563)Show SMILES CC(C)c1nc(-c2ccccc2)c(F)c(-c2ccc(F)cc2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O Show InChI InChI=1S/C26H24F2NO5P/c1-16(2)25-21(12-13-35(33,34)15-20(30)14-22(31)32)23(17-8-10-19(27)11-9-17)24(28)26(29-25)18-6-4-3-5-7-18/h3-13,15-16H,14H2,1-2H3,(H3,30,31,32,33,34)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406592
(CHEMBL96190)Show SMILES CC(C)c1cc(nc(-c2ccc(F)cc2)c1CCP(O)([O-])=CC(=O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C26H27FNO5P/c1-17(2)23-15-24(18-6-4-3-5-7-18)28-26(19-8-10-20(27)11-9-19)22(23)12-13-34(32,33)16-21(29)14-25(30)31/h3-11,15-17H,12-14H2,1-2H3,(H3,29,30,31,32,33)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406561
(CHEMBL97559)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O)C1CCCCC1 Show InChI InChI=1S/C26H31FNO5P/c1-17(2)26-22(12-13-34(32,33)16-21(29)14-25(30)31)23(18-8-10-20(27)11-9-18)15-24(28-26)19-6-4-3-5-7-19/h8-13,15-17,19H,3-7,14H2,1-2H3,(H3,29,30,31,32,33)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 48.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406606
(CHEMBL329349)Show SMILES CC(C)c1nc-2c(CCc3ccccc-23)c(-c2ccc(F)cc2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O Show InChI InChI=1S/C28H27FNO5P/c1-17(2)27-24(13-14-36(34,35)16-21(31)15-25(32)33)26(19-7-10-20(29)11-8-19)23-12-9-18-5-3-4-6-22(18)28(23)30-27/h3-8,10-11,13-14,16-17H,9,12,15H2,1-2H3,(H3,31,32,33,34,35)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 52.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406591
(CHEMBL94299)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C26H25FNO5P/c1-17(2)26-22(12-13-34(32,33)16-21(29)14-25(30)31)23(18-8-10-20(27)11-9-18)15-24(28-26)19-6-4-3-5-7-19/h3-13,15-17H,14H2,1-2H3,(H3,29,30,31,32,33)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406614
(CHEMBL93871)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O)-c1ccccc1Cc1ccccc1 Show InChI InChI=1S/C33H31FNO5P/c1-22(2)33-29(16-17-41(39,40)21-27(36)19-32(37)38)30(24-12-14-26(34)15-13-24)20-31(35-33)28-11-7-6-10-25(28)18-23-8-4-3-5-9-23/h3-17,20-22H,18-19H2,1-2H3,(H3,36,37,38,39,40)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406609
(CHEMBL96498)Show SMILES CC(C)(C)c1nc(cc(-c2ccc(F)cc2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C27H27FNO5P/c1-27(2,3)26-22(13-14-35(33,34)17-21(30)15-25(31)32)23(18-9-11-20(28)12-10-18)16-24(29-26)19-7-5-4-6-8-19/h4-14,16-17H,15H2,1-3H3,(H3,30,31,32,33,34)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 68.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406613
(CHEMBL328083)Show SMILES CC(C)c1nc-2c(Cc3ccccc-23)c(-c2ccc(F)cc2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O Show InChI InChI=1S/C27H25FNO5P/c1-16(2)26-22(11-12-35(33,34)15-20(30)14-24(31)32)25(17-7-9-19(28)10-8-17)23-13-18-5-3-4-6-21(18)27(23)29-26/h3-12,15-16H,13-14H2,1-2H3,(H3,30,31,32,33,34)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 75.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406588
(CHEMBL317371)Show SMILES CCc1nc(c(C)c(-c2ccc(F)cc2)c1CCP(O)([O-])CC(=O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C26H28FNO5P/c1-3-23-22(13-14-34(32,33)16-21(29)15-24(30)31)25(18-9-11-20(27)12-10-18)17(2)26(28-23)19-7-5-4-6-8-19/h4-12,32,34H,3,13-16H2,1-2H3,(H,30,31)/q-1/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406582
(CHEMBL95139)Show SMILES CC(C)c1cc(-c2ccc(F)cc2)c(C=CP(O)([O-])=CC(=O)CC([O-])=O)c(n1)C(C)C Show InChI InChI=1S/C23H27FNO5P/c1-14(2)21-12-20(16-5-7-17(24)8-6-16)19(23(25-21)15(3)4)9-10-31(29,30)13-18(26)11-22(27)28/h5-10,12-15H,11H2,1-4H3,(H3,26,27,28,29,30)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406607
(CHEMBL318204)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O)-c1cccc2OCOc12 Show InChI InChI=1S/C27H25FNO7P/c1-16(2)26-20(10-11-37(33,34)14-19(30)12-25(31)32)22(17-6-8-18(28)9-7-17)13-23(29-26)21-4-3-5-24-27(21)36-15-35-24/h3-11,13-14,16H,12,15H2,1-2H3,(H3,30,31,32,33,34)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 84.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406566
(CHEMBL96616)Show SMILES OP([O-])(C=Cc1c(cc(nc1C1CC1)-c1ccccc1)-c1ccc(F)cc1)=CC(=O)CC([O-])=O Show InChI InChI=1S/C26H23FNO5P/c27-20-10-8-17(9-11-20)23-15-24(18-4-2-1-3-5-18)28-26(19-6-7-19)22(23)12-13-34(32,33)16-21(29)14-25(30)31/h1-5,8-13,15-16,19H,6-7,14H2,(H3,29,30,31,32,33)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406571
(CHEMBL330607)Show SMILES CCc1nc(c(C)c(-c2ccc(F)cc2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C26H25FNO5P/c1-3-23-22(13-14-34(32,33)16-21(29)15-24(30)31)25(18-9-11-20(27)12-10-18)17(2)26(28-23)19-7-5-4-6-8-19/h4-14,16H,3,15H2,1-2H3,(H3,29,30,31,32,33)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406577
(CHEMBL421373)Show SMILES CC(C)c1nc(cc(c1CCP(O)([O-])CC(=O)CC([O-])=O)-c1ccc(F)cc1C)-c1ccccc1 Show InChI InChI=1S/C27H30FNO5P/c1-17(2)27-23(11-12-35(33,34)16-21(30)14-26(31)32)24(22-10-9-20(28)13-18(22)3)15-25(29-27)19-7-5-4-6-8-19/h4-10,13,15,17,33,35H,11-12,14,16H2,1-3H3,(H,31,32)/q-1/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406595
(CHEMBL94354)Show SMILES CC(C)c1nc(cc(c1C=CP(O)([O-])=CC(=O)CC([O-])=O)-c1ccc(F)cc1C)-c1ccccc1 Show InChI InChI=1S/C27H27FNO5P/c1-17(2)27-23(11-12-35(33,34)16-21(30)14-26(31)32)24(22-10-9-20(28)13-18(22)3)15-25(29-27)19-7-5-4-6-8-19/h4-13,15-17H,14H2,1-3H3,(H3,30,31,32,33,34)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 156 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406596
(CHEMBL420627)Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1CCP(O)([O-])CC(=O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C26H28FNO5P/c1-17(2)26-22(12-13-34(32,33)16-21(29)14-25(30)31)23(18-8-10-20(27)11-9-18)15-24(28-26)19-6-4-3-5-7-19/h3-11,15,17,32,34H,12-14,16H2,1-2H3,(H,30,31)/q-1/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 181 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406564
(CHEMBL97115)Show SMILES CC(C)c1nc(C)cc(-c2ccc(F)cc2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O Show InChI InChI=1S/C21H23FNO5P/c1-13(2)21-18(8-9-29(27,28)12-17(24)11-20(25)26)19(10-14(3)23-21)15-4-6-16(22)7-5-15/h4-10,12-13H,11H2,1-3H3,(H3,24,25,26,27,28)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 231 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406572
(CHEMBL419323)Show SMILES Cc1nc(c(C)c(-c2ccc(F)cc2)c1CCP(O)([O-])CC(=O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C25H26FNO5P/c1-16-24(18-8-10-20(26)11-9-18)22(12-13-33(31,32)15-21(28)14-23(29)30)17(2)27-25(16)19-6-4-3-5-7-19/h3-11,31,33H,12-15H2,1-2H3,(H,29,30)/q-1/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 235 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406581
(CHEMBL317744)Show SMILES CC(C)c1cc(nc(-c2ccc(F)cc2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C26H25FNO5P/c1-17(2)23-15-24(18-6-4-3-5-7-18)28-26(19-8-10-20(27)11-9-19)22(23)12-13-34(32,33)16-21(29)14-25(30)31/h3-13,15-17H,14H2,1-2H3,(H3,29,30,31,32,33)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406615
(CHEMBL314756)Show SMILES Cc1nc(c(C)c(-c2ccc(F)cc2)c1COP([O-])(=O)C[C@H](O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C24H25FNO6P/c1-15-23(17-8-10-19(25)11-9-17)21(13-32-33(30,31)14-20(27)12-22(28)29)16(2)26-24(15)18-6-4-3-5-7-18/h3-11,20,27H,12-14H2,1-2H3,(H,28,29)(H,30,31)/p-2/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibition of rat hepatic HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
HMG-CoA reductase
(Rattus norvegicus (rat)) | BDBM50406605
(CHEMBL93607)Show SMILES Cc1nc(c(C)c(-c2ccc(F)cc2)c1C=CP(O)([O-])=CC(=O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C25H23FNO5P/c1-16-24(18-8-10-20(26)11-9-18)22(12-13-33(31,32)15-21(28)14-23(29)30)17(2)27-25(16)19-6-4-3-5-7-19/h3-13,15H,14H2,1-2H3,(H3,28,29,30,31,32)/p-2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
J Med Chem 34: 2804-15 (1991)
Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P |
More data for this
Ligand-Target Pair | |
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