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Compile Data Set for Download or QSAR

Found 2 hits from Central Drug Research Institute (CSIR)   
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))
BDBM34168
PNG
(LOVASTATIN | MLS000069585 | SMR000058779 | US91151...)
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]3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
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KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.01E+4n/an/an/an/an/an/a



Central Drug Research Institute (CSIR)

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase using HMG-CoA as substrate by spectrophotometry in presence of NADPH


Eur J Med Chem 46: 5206-11 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.012
BindingDB Entry DOI: 10.7270/Q2M32W50
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50353742
PNG
(CHEMBL486985)
Show SMILES C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)CCC1=CC(=O)O[C@@H]1O
Show InChI InChI=1S/C20H30O3/c1-13-6-5-7-16-19(13,3)10-8-14(2)20(16,4)11-9-15-12-17(21)23-18(15)22/h6,12,14,16,18,22H,5,7-11H2,1-4H3/t14-,16+,18+,19+,20+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.02E+4n/an/an/an/an/an/a



Central Drug Research Institute (CSIR)

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase using HMG-CoA as substrate by spectrophotometry in presence of NADPH


Eur J Med Chem 46: 5206-11 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.012
BindingDB Entry DOI: 10.7270/Q2M32W50
More data for this
Ligand-Target Pair