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SMILES: COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)N3CCN(CC3)S(C)(=O)=O)cc(OC)cc2o1

InChI Key: InChIKey=GTGOGXREKPCZFR-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 176067   
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
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM176067
PNG
(US10047103, 100 | US9688695, 100)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)N3CCN(CC3)S(C)(=O)=O)cc(OC)cc2o1
Show InChI InChI=1S/C23H24N6O6S3/c1-32-15-8-18(34-12-14-13-36-21(24-14)27-4-6-28(7-5-27)38(3,30)31)16-10-20(35-19(16)9-15)17-11-29-22(25-17)37-23(26-29)33-2/h8-11,13H,4-7,12H2,1-3H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.25n/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
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM176067
PNG
(US10047103, 100 | US9688695, 100)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)N3CCN(CC3)S(C)(=O)=O)cc(OC)cc2o1
Show InChI InChI=1S/C23H24N6O6S3/c1-32-15-8-18(34-12-14-13-36-21(24-14)27-4-6-28(7-5-27)38(3,30)31)16-10-20(35-19(16)9-15)17-11-29-22(25-17)37-23(26-29)33-2/h8-11,13H,4-7,12H2,1-3H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.25n/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