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BDBM176238 US10047103, 271::US9688695, 271

SMILES: CCC1CCN(CC1)c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(C)ccc3n2)cs1

InChI Key: InChIKey=QJPCUASBWDOLAJ-UHFFFAOYSA-N

Data: 2 EC50

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 = 176238   
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 (PAR4)


(Homo sapiens (Human))
BDBM176238
PNG
(US10047103, 271 | US9688695, 271)
Show SMILES CCC1CCN(CC1)c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(C)ccc3n2)cs1
Show InChI InChI=1S/C27H29N5O3S/c1-4-18-7-9-31(10-8-18)27-28-19(16-36-27)15-34-23-11-20(33-3)12-24-21(23)13-25(35-24)22-14-32-26(29-22)6-5-17(2)30-32/h5-6,11-14,16,18H,4,7-10,15H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a 1.30n/an/an/a25



Bristol-Myers Squibb Co.

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)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2QF8VWN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4 (PAR4)


(Homo sapiens (Human))
BDBM176238
PNG
(US10047103, 271 | US9688695, 271)
Show SMILES CCC1CCN(CC1)c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(C)ccc3n2)cs1
Show InChI InChI=1S/C27H29N5O3S/c1-4-18-7-9-31(10-8-18)27-28-19(16-36-27)15-34-23-11-20(33-3)12-24-21(23)13-25(35-24)22-14-32-26(29-22)6-5-17(2)30-32/h5-6,11-14,16,18H,4,7-10,15H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a 1.30n/an/an/a25



Bristol-Myers Squibb Co.

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)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q28K777N
More data for this
Ligand-Target Pair