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SMILES: [H][C@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1ccc(F)cc1

InChI Key: InChIKey=NDVYQVQHWHSESH-VDIIUQMTSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 230727   
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))		BDBM230727
PNG
(US9340530, 62)
Show SMILES [H][C@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C31H26F3N3O3/c1-18-25(14-13-24-12-9-22(16-36-24)26-6-4-3-5-21(26)15-35)27-19(2)40-29(39)30(27,17-31(18,33)34)37-28(38)20-7-10-23(32)11-8-20/h3-14,16,18-19,25,27H,17H2,1-2H3,(H,37,38)/b14-13+/t18-,19-,25+,27-,30+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/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