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SMILES: Cn1c(COc2cccc(c2)C(O)=O)nc2ccc(Oc3ccc(F)cc3)cc12

InChI Key: InChIKey=OCHMHCSHKCGIDN-UHFFFAOYSA-N

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 2 hits for monomerid = 50450225   
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 gamma


(Homo sapiens (Human))
BDBM50450225
PNG
(CHEMBL4172725)
Show SMILES Cn1c(COc2cccc(c2)C(O)=O)nc2ccc(Oc3ccc(F)cc3)cc12
Show InChI InChI=1S/C22H17FN2O4/c1-25-20-12-18(29-16-7-5-15(23)6-8-16)9-10-19(20)24-21(25)13-28-17-4-2-3-14(11-17)22(26)27/h2-12H,13H2,1H3,(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 122n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5079-5098 (2018)


Article DOI: 10.1016/j.bmc.2018.09.006
BindingDB Entry DOI: 10.7270/Q2J968XC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50450225
PNG
(CHEMBL4172725)
Show SMILES Cn1c(COc2cccc(c2)C(O)=O)nc2ccc(Oc3ccc(F)cc3)cc12
Show InChI InChI=1S/C22H17FN2O4/c1-25-20-12-18(29-16-7-5-15(23)6-8-16)9-10-19(20)24-21(25)13-28-17-4-2-3-14(11-17)22(26)27/h2-12H,13H2,1H3,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARalpha LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5079-5098 (2018)


Article DOI: 10.1016/j.bmc.2018.09.006
BindingDB Entry DOI: 10.7270/Q2J968XC
More data for this
Ligand-Target Pair