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BDBM50050554 CHEMBL3317863

SMILES: CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)N1CC(C)(C)CC(C)(C)C1

InChI Key: InChIKey=CTTGJGHAKDHCCV-KSTXGFNDNA-N

Data: 1 Kd  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50050554   
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))
BDBM50050554
PNG
(CHEMBL3317863)
Show SMILES CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)N1CC(C)(C)CC(C)(C)C1
Show InChI InChI=1/C36H46N2O4/c1-6-18-42-32-17-12-27(20-29(34(40)41)19-26-10-8-7-9-11-26)21-30(32)22-37-33(39)28-13-15-31(16-14-28)38-24-35(2,3)23-36(4,5)25-38/h7-17,21,29H,6,18-20,22-25H2,1-5H3,(H,37,39)(H,40,41)/t29-/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 2.20n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma


Bioorg Med Chem Lett 24: 4001-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.023
BindingDB Entry DOI: 10.7270/Q20G3MTS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50050554
PNG
(CHEMBL3317863)
Show SMILES CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)N1CC(C)(C)CC(C)(C)C1
Show InChI InChI=1/C36H46N2O4/c1-6-18-42-32-17-12-27(20-29(34(40)41)19-26-10-8-7-9-11-26)21-30(32)22-37-33(39)28-13-15-31(16-14-28)38-24-35(2,3)23-36(4,5)25-38/h7-17,21,29H,6,18-20,22-25H2,1-5H3,(H,37,39)(H,40,41)/t29-/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/a 0.400n/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD by SPR method


Bioorg Med Chem Lett 24: 4001-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.023
BindingDB Entry DOI: 10.7270/Q20G3MTS
More data for this
Ligand-Target Pair