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 alpha
Protein Classification
Transcription factor
>
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 1
Uniprot ID
Q07869
Gene Name
PPARA
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)  3
1
EC50 = 3390 nM
   TI
   LI
   LO
   TS
2
EC50 > 10000 nM
   TI
   LI
   LO
   TS
3
EC50 = 10000 nM
   TI
   LI
   LO
   TS
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  2
1
EC50 = 3460 nM
   TI
   LI
   LO
   TS
2
EC50 > 10000 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  3
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
2
EC50 = 10580 nM
   TI
   LI
   LO
   TS
3
EC50 > 5000 nM
   TI
   LI
   LO
   TS
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
CL000063 Hep-G2 Homo sapiens (Human)  3
1
EC50 = 39 nM
   TI
   LI
   LO
   TS
2
EC50 > 10000 nM
   TI
   LI
   LO
   TS
3
EC50 > 12000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 140 nM
2 EC50 = 200 nM
3 EC50 = 240 nM
4 EC50 = 3000 nM
5 EC50 = 4100 nM
6 EC50 > 10000 nM
7 EC50 > 32000 nM
8 IC50 > 5 nM
9 IC50 > 10000 nM
10 IC50 > 15000 nM
11 IC50 > 50000 nM
12 IC50 > 100000 nM
13 Ki > 33300 nM