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2 similar compounds to monomer 50007277

Compile data set for download or QSAR
Wt: 475.5
BDBM50007267
Wt: 488.5
BDBM50011205

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50007267,50011205   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50007267
PNG
(CHEMBL321768 | Sodium; 6-(4'-fluoro-5-hydroxy-3,4,...)
Show SMILES CC(C)c1c(O)c(C(C)C)c(-c2ccc(F)cc2)c(OCC(O)C[C@@H](O)CC([O-])=O)c1C(C)C
Show InChI InChI=1S/C27H37FO6/c1-14(2)22-24(16(5)6)27(34-13-20(30)11-19(29)12-21(31)32)25(23(15(3)4)26(22)33)17-7-9-18(28)10-8-17/h7-10,14-16,19-20,29-30,33H,11-13H2,1-6H3,(H,31,32)/p-1/t19-,20?/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells.


J Med Chem 34: 2962-83 (1991)


Article DOI: 10.1021/jm00114a004
BindingDB Entry DOI: 10.7270/Q2C829WX
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011205
PNG
(CHEMBL3349882 | CHEMBL342975 | Sodium; 6-(4''-fluo...)
Show SMILES [Na+].CC(C)c1ccc(-c2ccc(C)cc2)c(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C28H31FO5/c1-17(2)24-12-13-25(19-6-4-18(3)5-7-19)27(20-8-10-21(29)11-9-20)28(24)34-16-23(31)14-22(30)15-26(32)33/h4-13,17,22-23,30-31H,14-16H2,1-3H3,(H,32,33)/p-1/t22-,23?/m1/s1
PDB
MMDB

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Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to inhibit microsomal preparation of HMG-CoA reductase in rat liver.


J Med Chem 34: 463-6 (1991)


Article DOI: 10.1021/jm00105a071
BindingDB Entry DOI: 10.7270/Q2MS3TC4
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50007267
PNG
(CHEMBL321768 | Sodium; 6-(4'-fluoro-5-hydroxy-3,4,...)
Show SMILES CC(C)c1c(O)c(C(C)C)c(-c2ccc(F)cc2)c(OCC(O)C[C@@H](O)CC([O-])=O)c1C(C)C
Show InChI InChI=1S/C27H37FO6/c1-14(2)22-24(16(5)6)27(34-13-20(30)11-19(29)12-21(31)32)25(23(15(3)4)26(22)33)17-7-9-18(28)10-8-17/h7-10,14-16,19-20,29-30,33H,11-13H2,1-6H3,(H,31,32)/p-1/t19-,20?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized rat liver.


J Med Chem 34: 2962-83 (1991)


Article DOI: 10.1021/jm00114a004
BindingDB Entry DOI: 10.7270/Q2C829WX
More data for this
Ligand-Target Pair