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BDBM50031332 CHEMBL3358033

SMILES: [H][C@@]12C[C@@H](CC[C@@]1(C)CCC[C@@]2(C)O[C@H](C=C)C#CC#C[C@@H](O)\C=C/CCCCCCC)C(C)(C)O

InChI Key: InChIKey=LEAHHMLIRIMDNS-PMKWWRLWSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50031332   
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))
BDBM50031332
PNG
(CHEMBL3358033)
Show SMILES [H][C@@]12C[C@@H](CC[C@@]1(C)CCC[C@@]2(C)O[C@H](C=C)C#CC#C[C@@H](O)\C=C/CCCCCCC)C(C)(C)O |r|
Show InChI InChI=1S/C32H50O3/c1-7-9-10-11-12-13-14-18-27(33)19-15-16-20-28(8-2)35-32(6)23-17-22-31(5)24-21-26(25-29(31)32)30(3,4)34/h8,14,18,26-29,33-34H,2,7,9-13,17,21-25H2,1,3-6H3/b18-14-/t26-,27+,28-,29-,31-,32-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 1.90E+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