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SMILES: COc1cc(OCc2csc(n2)C2(F)CCOCC2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1

InChI Key: InChIKey=SXAHCZLVEBNFID-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 = 176179   
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))
BDBM176179
PNG
(US10047103, 212 | US9688695, 212)
Show SMILES COc1cc(OCc2csc(n2)C2(F)CCOCC2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
Show InChI InChI=1S/C25H23FN4O4S/c1-15-3-4-23-28-19(12-30(23)29-15)22-11-18-20(9-17(31-2)10-21(18)34-22)33-13-16-14-35-24(27-16)25(26)5-7-32-8-6-25/h3-4,9-12,14H,5-8,13H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.290n/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))
BDBM176179
PNG
(US10047103, 212 | US9688695, 212)
Show SMILES COc1cc(OCc2csc(n2)C2(F)CCOCC2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
Show InChI InChI=1S/C25H23FN4O4S/c1-15-3-4-23-28-19(12-30(23)29-15)22-11-18-20(9-17(31-2)10-21(18)34-22)33-13-16-14-35-24(27-16)25(26)5-7-32-8-6-25/h3-4,9-12,14H,5-8,13H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.290n/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