Brief Information of the Compound and Protein
Compound Name
Avandamet
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PubChem ID
CID: 77999
SID: 50086904
Canonical SMILES
CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
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Compound Formula C18H19N3O3S
Compound Structure
Protein Name
Peroxisome proliferator-activated receptor delta
Protein Classification
Transcription factor
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Nuclear receptor
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Nuclear hormone receptor subfamily 1
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Nuclear hormone receptor subfamily 1 group C
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Nuclear hormone receptor subfamily 1 group C member 2
Uniprot ID
Q03181
Gene Name
PPARD
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  2
1
EC50 > 1000 nM
   TI
   LI
   LO
   TS
2
EC50 > 3000 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 8890 nM
   TI
   LI
   LO
   TS
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 3620 nM
2 IC50 > 5 nM
3 IC50 > 10000 nM
4 IC50 > 50000 nM
5 Ki > 33300 nM