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SMILES: NC(=N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(C2=O)c2ccc(cc2)C2CCCCC2)cc1

InChI Key: InChIKey=YCECMTRGWOKLMF-FGZHOGPDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 150289   
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 IX


(Homo sapiens (Human))		BDBM150289
PNG
(US8987242, 15)
Show SMILES NC(=N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(C2=O)c2ccc(cc2)C2CCCCC2)cc1
Show InChI InChI=1S/C25H30N4O4/c26-23(27)18-6-10-19(11-7-18)28-24(31)21(30)22-25(32)29(14-15-33-22)20-12-8-17(9-13-20)16-4-2-1-3-5-16/h6-13,16,21-22,30H,1-5,14-15H2,(H3,26,27)(H,28,31)/t21-,22-/m1/s1
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Similars
US Patent
n/an/a 20n/an/an/an/a8.025



Merck Sharp & Dohme Corp.; Mochida Pharmaceuticals Co., Ltd.

US Patent


Assay Description
Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...

US Patent US8987242 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JNS
More data for this
Ligand-Target Pair