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Compile Data Set for Download or QSAR

Found 2 hits with Last Name = 'bhuiyan' and Initial = 'mj'   
Target/Host
(Institution)
LigandTarget/Host
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
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
PDB

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

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PDB
Article
PubMed
n/an/an/an/a 4.50E+3n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Binding affinity to histidine-tagged human PPARalpha-LBD assessed as recruitment of co-activator peptide fluorescein-labeled PGC1alpha after 2 hrs by...


Bioorg Med Chem Lett 21: 5876-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.095
BindingDB Entry DOI: 10.7270/Q2TD9XRN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 4.13E+4n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARalpha expressed in HepG2 cells cotransfected with pGL3-PPRE3-TK-luc reporter assessed as beta-galactosidase...


Bioorg Med Chem Lett 21: 5876-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.095
BindingDB Entry DOI: 10.7270/Q2TD9XRN
More data for this
Ligand-Target Pair