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SMILES: C[C@H]1OC(=O)C2CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12

InChI Key: InChIKey=ZXVZGDFWMJMYDZ-YDLFRSEBSA-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 1 hit for monomerid = 230660   
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))
BDBM230660
PNG
(US9340530, 1)
Show SMILES C[C@H]1OC(=O)C2CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12 |r|
Show InChI InChI=1S/C24H22F2N2O2/c1-14-19(22-15(2)30-23(29)21(22)11-24(14,25)26)10-9-18-8-7-17(13-28-18)20-6-4-3-5-16(20)12-27/h3-10,13-15,19,21-22H,11H2,1-2H3/b10-9+/t14-,15+,19-,21?,22?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair