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BDBM50452635 CHEMBL2367463

SMILES: [#6]-n1nnnc1\[#6](\[#6]=[#6]\[#6@H]-1-[#6]-[#6@H](-[#8])-[#6]-[#6](=O)-[#8]1)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1

InChI Key: InChIKey=VIMMECPCYZXUCI-MIMFYIINSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50452635   
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 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
PDB
MMDB

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PC cid
PC sid
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Similars

Article
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)


Article DOI: 10.1021/jm00129a004
BindingDB Entry DOI: 10.7270/Q28S4NXH
More data for this
Ligand-Target Pair