BindingDB logo
myBDB logout

BDBM50314959 (S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7-dioxo-6b,7-dihydro-1H-4,11-dioxa-2-aza-benzo[a]fluorene-2-carboxylic acid(pyridin-3-ylmethyl)-amide::CHEMBL1092876

SMILES: COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cccnc1

InChI Key: InChIKey=LDOITAQBXLFHNK-ZEAKTGOJNA-N

Data: 1 EC50

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 1 hit for monomerid = 50314959   
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))
BDBM50314959
PNG
((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...)
Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cccnc1
Show InChI InChI=1/C23H20N2O7/c1-11(26)17-13(27)8-16-23(2,21(17)29)19-14(28)7-15(31-3)18(20(19)32-16)22(30)25-10-12-5-4-6-24-9-12/h4-9,17,28H,10H2,1-3H3,(H,25,30)/t17?,23-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.10E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma assessed as transcriptional activation


Bioorg Med Chem Lett 20: 2095-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.073
BindingDB Entry DOI: 10.7270/Q2RX9D21
More data for this
Ligand-Target Pair