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BDBM286502 (S)-2-(1-Fluoroethyl)-6-(6-methoxy-4-((3-(pyrimidin-5-yl)benzyl)oxy)benzofuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole::US9518064, Example 64

SMILES: COc1cc(OCc2cccc(c2)-c2cncnc2)c2cc(oc2c1)-c1cn2nc(sc2n1)[C@H](C)F

InChI Key: InChIKey=LPHKQDNIANODOF-GGYSOQFKNA-N

Data: 1 IC50

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 1 hit for monomerid = 286502   
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 1


(Homo sapiens (Human))
BDBM286502
PNG
((S)-2-(1-Fluoroethyl)-6-(6-methoxy-4-((3-(pyrimidi...)
Show SMILES COc1cc(OCc2cccc(c2)-c2cncnc2)c2cc(oc2c1)-c1cn2nc(sc2n1)[C@H](C)F
Show InChI InChI=1/C26H20FN5O3S/c1-15(27)25-31-32-12-21(30-26(32)36-25)24-9-20-22(7-19(33-2)8-23(20)35-24)34-13-16-4-3-5-17(6-16)18-10-28-14-29-11-18/h3-12,14-15H,13H2,1-2H3/t15-/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 490n/an/an/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 US9518064 (2016)


Article DOI: 10.1021/jm970374b
BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair