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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Proteinase-activated receptor 4' and Ligand = 'BDBM176053'   
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
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM176053
PNG
(US10047103, 86 | US9688695, 86)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C(F)(F)F)N3CCOCC3)cc(OC)cc2o1
Show InChI InChI=1S/C23H20F3N5O5S2/c1-32-12-7-16(35-11-15-19(23(24,25)26)37-20(28-15)30-3-5-34-6-4-30)13-9-18(36-17(13)8-12)14-10-31-21(27-14)38-22(29-31)33-2/h7-10H,3-6,11H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00359
BindingDB Entry DOI: 10.7270/Q2VH5SWM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM176053
PNG
(US10047103, 86 | US9688695, 86)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C(F)(F)F)N3CCOCC3)cc(OC)cc2o1
Show InChI InChI=1S/C23H20F3N5O5S2/c1-32-12-7-16(35-11-15-19(23(24,25)26)37-20(28-15)30-3-5-34-6-4-30)13-9-18(36-17(13)8-12)14-10-31-21(27-14)38-22(29-31)33-2/h7-10H,3-6,11H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.300n/an/an/a25



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US10047103 (2018)


BindingDB Entry DOI: 10.7270/Q2QF8VWN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM176053
PNG
(US10047103, 86 | US9688695, 86)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C(F)(F)F)N3CCOCC3)cc(OC)cc2o1
Show InChI InChI=1S/C23H20F3N5O5S2/c1-32-12-7-16(35-11-15-19(23(24,25)26)37-20(28-15)30-3-5-34-6-4-30)13-9-18(36-17(13)8-12)14-10-31-21(27-14)38-22(29-31)33-2/h7-10H,3-6,11H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.300n/an/an/a25



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Briefly, HEK293 EBNA PAR4 clone 20664.1J cells were plated 24 hrs. prior to experiment in 384 well, Poly-D-Lysine coated, black, clear bottom plates ...


US Patent US9688695 (2017)


BindingDB Entry DOI: 10.7270/Q28K777N
More data for this
Ligand-Target Pair