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SMILES: CCN(CCC#N)C(=O)c1ccc(cc1)-c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1

InChI Key: InChIKey=YUSJRPQZXKKYOI-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 = 176259   
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))
BDBM176259
PNG
(US10047103, 292 | US9688695, 292)
Show SMILES CCN(CCC#N)C(=O)c1ccc(cc1)-c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1
Show InChI InChI=1S/C30H26N6O5S2/c1-4-35(11-5-10-31)28(37)19-8-6-18(7-9-19)27-32-20(17-42-27)16-40-24-12-21(38-2)13-25-22(24)14-26(41-25)23-15-36-29(33-23)43-30(34-36)39-3/h6-9,12-15,17H,4-5,11,16H2,1-3H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.270n/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))
BDBM176259
PNG
(US10047103, 292 | US9688695, 292)
Show SMILES CCN(CCC#N)C(=O)c1ccc(cc1)-c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1
Show InChI InChI=1S/C30H26N6O5S2/c1-4-35(11-5-10-31)28(37)19-8-6-18(7-9-19)27-32-20(17-42-27)16-40-24-12-21(38-2)13-25-22(24)14-26(41-25)23-15-36-29(33-23)43-30(34-36)39-3/h6-9,12-15,17H,4-5,11,16H2,1-3H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.270n/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