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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50171993'   
Target
(Institution)
LigandTarget
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 alpha


(Canis familiaris)
BDBM50171993
PNG
(5-[3-(2-Chloro-4-trifluoromethylsulfanyl-phenoxy)-...)
Show SMILES CCC1(Cc2cc(OCCCOc3ccc(SC(F)(F)F)cc3Cl)ccc2O1)C(O)=O
Show InChI InChI=1S/C21H20ClF3O5S/c1-2-20(19(26)27)12-13-10-14(4-6-17(13)30-20)28-8-3-9-29-18-7-5-15(11-16(18)22)31-21(23,24)25/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,26,27)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/an/an/a<1n/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)

More data for this
Ligand-Target Pair