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BDBM50517213 CHEMBL4557705

SMILES: CCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1ccncc1)C(O)=O

InChI Key: InChIKey=UIDGARYWPWDPOA-KGENOOAVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50517213   
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


(Homo sapiens (Human))
BDBM50517213
PNG
(CHEMBL4557705)
Show SMILES CCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1ccncc1)C(O)=O
Show InChI InChI=1S/C30H27F3N2O5/c1-3-4-21(29(36)37)14-22-15-23(6-8-26(22)40-17-19-9-11-34-12-10-19)39-18-20-5-7-25-24(13-20)27(38-2)16-28(35-25)30(31,32)33/h5-16H,3-4,17-18H2,1-2H3,(H,36,37)/b21-14+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Fraunhofer Institute for Molecular Biology and Applied Ecology IME

Curated by ChEMBL


Assay Description
Antagonist actvity in pFA-GAL4-DBD fused PPARgamma LBD (unknown origin) transfected in HEK293T cells assessed as inhibition of rosiglitazone-induced ...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115082
More data for this
Ligand-Target Pair