BindingDB logo
myBDB logout

PubMed code 2296027

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50014729
PNG
(6-{2-[1,5-Bis-(4-fluoro-phenyl)-3-isopropyl-1H-pyr...)
Show SMILES CC(C)c1nn(c(c1CC[C@H]1C[C@H](O)CC(=O)O1)-c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H26F2N2O3/c1-15(2)24-22(12-11-21-13-20(30)14-23(31)32-21)25(16-3-5-17(26)6-4-16)29(28-24)19-9-7-18(27)8-10-19/h3-10,15,20-21,30H,11-14H2,1-2H3/t20-,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 32n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HMG-CoA reductase by employing a crude liver homogenate derived from rats fed a chow diet containing 5% cholesty...


J Med Chem 33: 31-8 (1990)


BindingDB Entry DOI: 10.7270/Q2B56HQB
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50014726
PNG
(6-{2-[5-(4-Fluoro-phenyl)-3-isopropyl-1-phenyl-1H-...)
Show SMILES CC(C)c1nn(c(c1CC[C@H]1C[C@H](O)CC(=O)O1)-c1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C25H27FN2O3/c1-16(2)24-22(13-12-21-14-20(29)15-23(30)31-21)25(17-8-10-18(26)11-9-17)28(27-24)19-6-4-3-5-7-19/h3-11,16,20-21,29H,12-15H2,1-2H3/t20-,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 35n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HMG-CoA reductase by employing a crude liver homogenate derived from rats fed a chow diet containing 5% cholesty...


J Med Chem 33: 31-8 (1990)


BindingDB Entry DOI: 10.7270/Q2B56HQB
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50014722
PNG
(6-{2-[5-(4-Fluoro-phenyl)-3-isopropyl-1-(4-methoxy...)
Show SMILES COc1ccc(cc1)-n1nc(C(C)C)c(CC[C@H]2C[C@H](O)CC(=O)O2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C26H29FN2O4/c1-16(2)25-23(13-12-22-14-20(30)15-24(31)33-22)26(17-4-6-18(27)7-5-17)29(28-25)19-8-10-21(32-3)11-9-19/h4-11,16,20,22,30H,12-15H2,1-3H3/t20-,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 39n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HMG-CoA reductase by employing a crude liver homogenate derived from rats fed a chow diet containing 5% cholesty...


J Med Chem 33: 31-8 (1990)


BindingDB Entry DOI: 10.7270/Q2B56HQB
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50014727
PNG
(6-{2-[5-(4-Fluoro-phenyl)-3-isopropyl-1-p-tolyl-1H...)
Show SMILES CC(C)c1nn(c(c1CC[C@H]1C[C@H](O)CC(=O)O1)-c1ccc(F)cc1)-c1ccc(C)cc1
Show InChI InChI=1S/C26H29FN2O3/c1-16(2)25-23(13-12-22-14-21(30)15-24(31)32-22)26(18-6-8-19(27)9-7-18)29(28-25)20-10-4-17(3)5-11-20/h4-11,16,21-22,30H,12-15H2,1-3H3/t21-,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 40n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HMG-CoA reductase by employing a crude liver homogenate derived from rats fed a chow diet containing 5% cholesty...


J Med Chem 33: 31-8 (1990)


BindingDB Entry DOI: 10.7270/Q2B56HQB
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50014719
PNG
(6-{2-[1-Benzyl-5-(4-fluoro-phenyl)-3-isopropyl-1H-...)
Show SMILES CC(C)c1nn(Cc2ccccc2)c(c1CC[C@H]1C[C@H](O)CC(=O)O1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H29FN2O3/c1-17(2)25-23(13-12-22-14-21(30)15-24(31)32-22)26(19-8-10-20(27)11-9-19)29(28-25)16-18-6-4-3-5-7-18/h3-11,17,21-22,30H,12-16H2,1-2H3/t21-,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 158n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HMG-CoA reductase by employing a crude liver homogenate derived from rats fed a chow diet containing 5% cholesty...


J Med Chem 33: 31-8 (1990)


BindingDB Entry DOI: 10.7270/Q2B56HQB
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50014720
PNG
(6-{2-[5-(4-Fluoro-phenyl)-3-isopropyl-1-naphthalen...)
Show SMILES CC(C)c1nn(c(c1CC[C@H]1C[C@H](O)CC(=O)O1)-c1ccc(F)cc1)-c1cccc2ccccc12
Show InChI InChI=1S/C29H29FN2O3/c1-18(2)28-25(15-14-23-16-22(33)17-27(34)35-23)29(20-10-12-21(30)13-11-20)32(31-28)26-9-5-7-19-6-3-4-8-24(19)26/h3-13,18,22-23,33H,14-17H2,1-2H3/t22-,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 234n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HMG-CoA reductase by employing a crude liver homogenate derived from rats fed a chow diet containing 5% cholesty...


J Med Chem 33: 31-8 (1990)


BindingDB Entry DOI: 10.7270/Q2B56HQB
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50014723
PNG
(6-{2-[5-(4-Fluoro-phenyl)-3-isopropyl-1-(toluene-4...)
Show SMILES CC(C)c1nn(c(c1CC[C@H]1C[C@H](O)CC(=O)O1)-c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H29FN2O5S/c1-16(2)25-23(13-10-21-14-20(30)15-24(31)34-21)26(18-6-8-19(27)9-7-18)29(28-25)35(32,33)22-11-4-17(3)5-12-22/h4-9,11-12,16,20-21,30H,10,13-15H2,1-3H3/t20-,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 660n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HMG-CoA reductase by employing a crude liver homogenate derived from rats fed a chow diet containing 5% cholesty...


J Med Chem 33: 31-8 (1990)


BindingDB Entry DOI: 10.7270/Q2B56HQB
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50014725
PNG
(6-{2-[5-(4-Fluoro-phenyl)-3-isopropyl-1-phenyl-1H-...)
Show SMILES CC(C)c1nn(c(c1CC[C@@H]1C[C@H](O)CC(=O)O1)-c1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C25H27FN2O3/c1-16(2)24-22(13-12-21-14-20(29)15-23(30)31-21)25(17-8-10-18(26)11-9-17)28(27-24)19-6-4-3-5-7-19/h3-11,16,20-21,29H,12-15H2,1-2H3/t20-,21+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 700n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HMG-CoA reductase by employing a crude liver homogenate derived from rats fed a chow diet containing 5% cholesty...


J Med Chem 33: 31-8 (1990)


BindingDB Entry DOI: 10.7270/Q2B56HQB
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50014724
PNG
(6-{2-[5-(4-Fluoro-phenyl)-3-isopropyl-1-phenyl-1H-...)
Show SMILES CO[C@H]1C[C@H](CCc2c(nn(c2-c2ccc(F)cc2)-c2ccccc2)C(C)C)OC(=O)C1
Show InChI InChI=1S/C26H29FN2O3/c1-17(2)25-23(14-13-21-15-22(31-3)16-24(30)32-21)26(18-9-11-19(27)12-10-18)29(28-25)20-7-5-4-6-8-20/h4-12,17,21-22H,13-16H2,1-3H3/t21-,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.16E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HMG-CoA reductase by employing a crude liver homogenate derived from rats fed a chow diet containing 5% cholesty...


J Med Chem 33: 31-8 (1990)


BindingDB Entry DOI: 10.7270/Q2B56HQB
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50014728
PNG
(6-{2-[5-(4-Fluoro-phenyl)-3-isopropyl-1-phenyl-1H-...)
Show SMILES CC(C)c1nn(c(c1CCC1CC(=O)CC(=O)O1)-c1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C25H25FN2O3/c1-16(2)24-22(13-12-21-14-20(29)15-23(30)31-21)25(17-8-10-18(26)11-9-17)28(27-24)19-6-4-3-5-7-19/h3-11,16,21H,12-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HMG-CoA reductase by employing a crude liver homogenate derived from rats fed a chow diet containing 5% cholesty...


J Med Chem 33: 31-8 (1990)


BindingDB Entry DOI: 10.7270/Q2B56HQB
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50014721
PNG
(6-{1-[5-(4-Fluoro-phenyl)-3-isopropyl-1-phenyl-1H-...)
Show SMILES CC(C)c1nn(c(c1C(=C)[C@H]1C[C@H](O)CC(=O)O1)-c1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C25H25FN2O3/c1-15(2)24-23(16(3)21-13-20(29)14-22(30)31-21)25(17-9-11-18(26)12-10-17)28(27-24)19-7-5-4-6-8-19/h4-12,15,20-21,29H,3,13-14H2,1-2H3/t20-,21+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.78E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HMG-CoA reductase by employing a crude liver homogenate derived from rats fed a chow diet containing 5% cholesty...


J Med Chem 33: 31-8 (1990)


BindingDB Entry DOI: 10.7270/Q2B56HQB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%