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2 similar compounds to monomer 50007302

Compile data set for download or QSAR
Wt: 418.2
BDBM50007307
Wt: 383.8
BDBM50007282

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50007307,50007282   
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
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50007307
PNG
(CHEMBL101806 | Sodium; 6-(2,4-dichloro-6-cyclohexa...)
Show SMILES OC(COc1c(Cl)cc(Cl)cc1C(=O)C1CCCCC1)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C19H24Cl2O6/c20-12-6-15(18(26)11-4-2-1-3-5-11)19(16(21)7-12)27-10-14(23)8-13(22)9-17(24)25/h6-7,11,13-14,22-23H,1-5,8-10H2,(H,24,25)/p-1/t13-,14?/m1/s1
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/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
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50007282
PNG
(CHEMBL101662 | Sodium; 6-(4-chloro-2-cyclohexylmet...)
Show SMILES Cc1cc(Cl)cc(CC2CCCCC2)c1OCC(O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C20H29ClO5/c1-13-7-16(21)9-15(8-14-5-3-2-4-6-14)20(13)26-12-18(23)10-17(22)11-19(24)25/h7,9,14,17-18,22-23H,2-6,8,10-12H2,1H3,(H,24,25)/p-1/t17-,18?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 75n/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