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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50171997   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50171997
PNG
(5-{3-[2-Chloro-4-(2,2-dimethyl-propyl)-phenoxy]-pr...)
Show SMILES CCC1(Cc2cc(OCCCOc3ccc(CC(C)(C)C)cc3Cl)ccc2O1)C(O)=O
Show InChI InChI=1S/C25H31ClO5/c1-5-25(23(27)28)16-18-14-19(8-10-21(18)31-25)29-11-6-12-30-22-9-7-17(13-20(22)26)15-24(2,3)4/h7-10,13-14H,5-6,11-12,15-16H2,1-4H3,(H,27,28)
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/a 5.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


J Med Chem 48: 5589-99 (2005)


Article DOI: 10.1021/jm050373g
BindingDB Entry DOI: 10.7270/Q25T3K0M
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50171997
PNG
(5-{3-[2-Chloro-4-(2,2-dimethyl-propyl)-phenoxy]-pr...)
Show SMILES CCC1(Cc2cc(OCCCOc3ccc(CC(C)(C)C)cc3Cl)ccc2O1)C(O)=O
Show InChI InChI=1S/C25H31ClO5/c1-5-25(23(27)28)16-18-14-19(8-10-21(18)31-25)29-11-6-12-30-22-9-7-17(13-20(22)26)15-24(2,3)4/h7-10,13-14H,5-6,11-12,15-16H2,1-4H3,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-delta


J Med Chem 48: 5589-99 (2005)


Article DOI: 10.1021/jm050373g
BindingDB Entry DOI: 10.7270/Q25T3K0M
More data for this
Ligand-Target Pair