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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'HMG-CoA synthase' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
HMG-CoA synthase


(Rattus norvegicus)
BDBM50452635
PNG
(CHEMBL2367463)
Show SMILES Cn1nnnc1C(\C=C\[C@H]1C[C@H](O)CC(=O)O1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H20F2N4O3/c1-29-23(26-27-28-29)20(11-10-19-12-18(30)13-21(31)32-19)22(14-2-6-16(24)7-3-14)15-4-8-17(25)9-5-15/h2-11,18-19,30H,12-13H2,1H3/b11-10+/t18-,19-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 19n/an/an/an/an/an/a



Bristol Myers Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver microsomal HMG-CoA reductase activity


J Med Chem 32: 2038-41 (1989)

More data for this
Ligand-Target Pair
HMG-CoA synthase


(Rattus norvegicus)
BDBM50014354
PNG
(6-[4,4-Bis-(4-fluoro-phenyl)-3-(1-methyl-1H-tetraz...)
Show SMILES Cn1nnnc1C(\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H20F2N4O3/c1-29-23(26-27-28-29)20(11-10-19-12-18(30)13-21(31)32-19)22(14-2-6-16(24)7-3-14)15-4-8-17(25)9-5-15/h2-11,18-19,30H,12-13H2,1H3/b11-10+/t18-,19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 43n/an/an/an/an/an/a



Bristol Myers Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver microsomal HMG-CoA reductase activity


J Med Chem 32: 2038-41 (1989)

More data for this
Ligand-Target Pair