BindingDB logo
myBDB logout

null

SMILES: Cc1cc(F)cc(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3c2)c1

InChI Key: InChIKey=KEVFHNIGURCNTA-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 = 50450231   
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


(Homo sapiens (Human))
BDBM50450231
PNG
(CHEMBL4164018)
Show SMILES Cc1cc(F)cc(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3c2)c1
Show InChI InChI=1S/C23H19FN2O4/c1-14-8-16(24)11-19(9-14)30-18-6-7-20-21(12-18)26(2)22(25-20)13-29-17-5-3-4-15(10-17)23(27)28/h3-12H,13H2,1-2H3,(H,27,28)
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
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50450231
PNG
(CHEMBL4164018)
Show SMILES Cc1cc(F)cc(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3c2)c1
Show InChI InChI=1S/C23H19FN2O4/c1-14-8-16(24)11-19(9-14)30-18-6-7-20-21(12-18)26(2)22(25-20)13-29-17-5-3-4-15(10-17)23(27)28/h3-12H,13H2,1-2H3,(H,27,28)
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 21n/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