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SMILES: COC(=O)Nc1ccc(cc1)-c1[nH]c(CNC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)nc1Cl

InChI Key: InChIKey=PSKCRWRBLPWFSL-RUDMXATFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 335422   
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
Coagulation factor XI


(Homo sapiens (Human))		BDBM335422
PNG
(US9732085, Comp Ex 3)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(CNC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)nc1Cl
Show InChI InChI=1S/C22H18Cl2N8O3/c1-35-22(34)27-16-6-2-13(3-7-16)20-21(24)29-18(28-20)11-25-19(33)9-4-14-10-15(23)5-8-17(14)32-12-26-30-31-32/h2-10,12H,11H2,1H3,(H,25,33)(H,27,34)(H,28,29)/b9-4+
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US Patent
n/an/a 130n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6...

US Patent US9732085 (2017)


BindingDB Entry DOI: 10.7270/Q25X2C2P
More data for this
Ligand-Target Pair