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BDBM50007284 CHEMBL101600::Sodium; 6-{2-[cyclohexyl-(2,2-dimethyl-butyrylamino)-methyl]-4,6-dimethyl-phenoxy}-3,5-dihydroxy-hexanoate

SMILES: CCC(C)(C)C(=O)NC(C1CCCCC1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O

InChI Key: InChIKey=XAFSODPXPFYGDP-UZGSZPBKSA-M

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50007284   
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))
BDBM50007284
PNG
(CHEMBL101600 | Sodium; 6-{2-[cyclohexyl-(2,2-dimet...)
Show SMILES CCC(C)(C)C(=O)NC(C1CCCCC1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C27H43NO6/c1-6-27(4,5)26(33)28-24(19-10-8-7-9-11-19)22-13-17(2)12-18(3)25(22)34-16-21(30)14-20(29)15-23(31)32/h12-13,19-21,24,29-30H,6-11,14-16H2,1-5H3,(H,28,33)(H,31,32)/p-1/t20-,21?,24?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+4n/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))
BDBM50007284
PNG
(CHEMBL101600 | Sodium; 6-{2-[cyclohexyl-(2,2-dimet...)
Show SMILES CCC(C)(C)C(=O)NC(C1CCCCC1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C27H43NO6/c1-6-27(4,5)26(33)28-24(19-10-8-7-9-11-19)22-13-17(2)12-18(3)25(22)34-16-21(30)14-20(29)15-23(31)32/h12-13,19-21,24,29-30H,6-11,14-16H2,1-5H3,(H,28,33)(H,31,32)/p-1/t20-,21?,24?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 470n/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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50007284
PNG
(CHEMBL101600 | Sodium; 6-{2-[cyclohexyl-(2,2-dimet...)
Show SMILES CCC(C)(C)C(=O)NC(C1CCCCC1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C27H43NO6/c1-6-27(4,5)26(33)28-24(19-10-8-7-9-11-19)22-13-17(2)12-18(3)25(22)34-16-21(30)14-20(29)15-23(31)32/h12-13,19-21,24,29-30H,6-11,14-16H2,1-5H3,(H,28,33)(H,31,32)/p-1/t20-,21?,24?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/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))
BDBM50007284
PNG
(CHEMBL101600 | Sodium; 6-{2-[cyclohexyl-(2,2-dimet...)
Show SMILES CCC(C)(C)C(=O)NC(C1CCCCC1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C27H43NO6/c1-6-27(4,5)26(33)28-24(19-10-8-7-9-11-19)22-13-17(2)12-18(3)25(22)34-16-21(30)14-20(29)15-23(31)32/h12-13,19-21,24,29-30H,6-11,14-16H2,1-5H3,(H,28,33)(H,31,32)/p-1/t20-,21?,24?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 470n/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