BindingDB logo
myBDB logout

BDBM50031335 CHEMBL3358036

SMILES: CCCCCCC\C=C/[C@H](OC(=O)\C=C\c1ccc(O)c(OC)c1)C#CC#C[C@H](O)C=C

InChI Key: InChIKey=OECWBZDIEAHTKW-LGDYLFJGSA-N

Data: 2 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 2 hits for monomerid = 50031335   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50031335
PNG
(CHEMBL3358036)
Show SMILES CCCCCCC\C=C/[C@H](OC(=O)\C=C\c1ccc(O)c(OC)c1)C#CC#C[C@H](O)C=C
Show InChI InChI=1S/C27H32O5/c1-4-6-7-8-9-10-11-15-24(16-13-12-14-23(28)5-2)32-27(30)20-18-22-17-19-25(29)26(21-22)31-3/h5,11,15,17-21,23-24,28-29H,2,4,6-10H2,1,3H3/b15-11-,20-18+/t23-,24+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.20E+3n/an/an/an/a



Vienna University of Technology

Curated by ChEMBL


Assay Description
Transactivation of human full length PPARgamma expressed in HEK293 cells after 18 hrs by luciferase reporter gene based luminescence assay


J Nat Prod 81: 2419-2428 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00439
BindingDB Entry DOI: 10.7270/Q2CZ39VR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50031335
PNG
(CHEMBL3358036)
Show SMILES CCCCCCC\C=C/[C@H](OC(=O)\C=C\c1ccc(O)c(OC)c1)C#CC#C[C@H](O)C=C
Show InChI InChI=1S/C27H32O5/c1-4-6-7-8-9-10-11-15-24(16-13-12-14-23(28)5-2)32-27(30)20-18-22-17-19-25(29)26(21-22)31-3/h5,11,15,17-21,23-24,28-29H,2,4,6-10H2,1,3H3/b15-11-,20-18+/t23-,24+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.30E+3n/an/an/an/a



Karl-Franzens-University Graz

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in HEK293 cells incubated for 18 hrs by luciferase reporter gene assay


J Nat Prod 77: 2513-21 (2014)


Article DOI: 10.1021/np500605v
BindingDB Entry DOI: 10.7270/Q2DR2X36
More data for this
Ligand-Target Pair