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BDBM50161665 5-[(3aS,4R,6S,6aS)-4-Hydroxy-6-((E)-(S)-4-hydroxy-non-1-enyl)-hexahydro-pentalen-(2E)-ylidene]-pentanoic acid::CHEMBL180660

SMILES: CCCCC[C@H](O)C\C=C\[C@@H]1C[C@@H](O)[C@H]2C\C(C[C@@H]12)=C\CCCC(O)=O

InChI Key: InChIKey=NXPHXOSLGZKIRE-FMRUQUKBSA-N

Data: 3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50161665   
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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50161665
PNG
(5-[(3aS,4R,6S,6aS)-4-Hydroxy-6-((E)-(S)-4-hydroxy-...)
Show SMILES CCCCC[C@H](O)C\C=C\[C@@H]1C[C@@H](O)[C@H]2C\C(C[C@@H]12)=C\CCCC(O)=O
Show InChI InChI=1S/C22H36O4/c1-2-3-4-10-18(23)11-7-9-17-15-21(24)20-14-16(13-19(17)20)8-5-6-12-22(25)26/h7-9,17-21,23-24H,2-6,10-15H2,1H3,(H,25,26)/b9-7+,16-8+/t17-,18+,19+,20+,21-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8.00E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Effective concentration for human peroxisome proliferator-activated receptor gamma


Bioorg Med Chem Lett 15: 1497-500 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.084
BindingDB Entry DOI: 10.7270/Q2NK3DK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50161665
PNG
(5-[(3aS,4R,6S,6aS)-4-Hydroxy-6-((E)-(S)-4-hydroxy-...)
Show SMILES CCCCC[C@H](O)C\C=C\[C@@H]1C[C@@H](O)[C@H]2C\C(C[C@@H]12)=C\CCCC(O)=O
Show InChI InChI=1S/C22H36O4/c1-2-3-4-10-18(23)11-7-9-17-15-21(24)20-14-16(13-19(17)20)8-5-6-12-22(25)26/h7-9,17-21,23-24H,2-6,10-15H2,1H3,(H,25,26)/b9-7+,16-8+/t17-,18+,19+,20+,21-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Effective concentration for human peroxisome proliferator-activated receptor alpha


Bioorg Med Chem Lett 15: 1497-500 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.084
BindingDB Entry DOI: 10.7270/Q2NK3DK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50161665
PNG
(5-[(3aS,4R,6S,6aS)-4-Hydroxy-6-((E)-(S)-4-hydroxy-...)
Show SMILES CCCCC[C@H](O)C\C=C\[C@@H]1C[C@@H](O)[C@H]2C\C(C[C@@H]12)=C\CCCC(O)=O
Show InChI InChI=1S/C22H36O4/c1-2-3-4-10-18(23)11-7-9-17-15-21(24)20-14-16(13-19(17)20)8-5-6-12-22(25)26/h7-9,17-21,23-24H,2-6,10-15H2,1H3,(H,25,26)/b9-7+,16-8+/t17-,18+,19+,20+,21-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.90E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Effective concentration for human peroxisome proliferator-activated receptor delta


Bioorg Med Chem Lett 15: 1497-500 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.084
BindingDB Entry DOI: 10.7270/Q2NK3DK3
More data for this
Ligand-Target Pair