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SMILES: Cc1ccc(C)c(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3c2)n1

InChI Key: InChIKey=CNBUIZFLKLVXDH-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 = 50450107   
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))
BDBM50450107
PNG
(CHEMBL4164828)
Show SMILES Cc1ccc(C)c(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3c2)n1
Show InChI InChI=1S/C23H21N3O4/c1-14-7-8-15(2)24-22(14)30-18-9-10-19-20(12-18)26(3)21(25-19)13-29-17-6-4-5-16(11-17)23(27)28/h4-12H,13H2,1-3H3,(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 717n/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: 5099-5117 (2018)


Article DOI: 10.1016/j.bmc.2018.09.005
BindingDB Entry DOI: 10.7270/Q2XK8J3V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50450107
PNG
(CHEMBL4164828)
Show SMILES Cc1ccc(C)c(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3c2)n1
Show InChI InChI=1S/C23H21N3O4/c1-14-7-8-15(2)24-22(14)30-18-9-10-19-20(12-18)26(3)21(25-19)13-29-17-6-4-5-16(11-17)23(27)28/h4-12H,13H2,1-3H3,(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: 5099-5117 (2018)


Article DOI: 10.1016/j.bmc.2018.09.005
BindingDB Entry DOI: 10.7270/Q2XK8J3V
More data for this
Ligand-Target Pair