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SMILES: Cn1nc(ccc1=O)-c1ccc(C(=O)NC2C3CCC2N(C3)c2ncc(Cl)c3c(N)noc23)c(Cl)c1

InChI Key: InChIKey=AVFUOHSKUKUYIJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 352449   
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))		BDBM352449
PNG
(N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...)
Show SMILES Cn1nc(ccc1=O)-c1ccc(C(=O)NC2C3CCC2N(C3)c2ncc(Cl)c3c(N)noc23)c(Cl)c1
Show InChI InChI=1S/C24H21Cl2N7O3/c1-32-18(34)7-5-16(30-32)11-2-4-13(14(25)8-11)24(35)29-20-12-3-6-17(20)33(10-12)23-21-19(15(26)9-28-23)22(27)31-36-21/h2,4-5,7-9,12,17,20H,3,6,10H2,1H3,(H2,27,31)(H,29,35)
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PC cid
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US Patent
n/an/a<100n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; Mochida Pharmaceutical 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 US9808445 (2017)


BindingDB Entry DOI: 10.7270/Q28G8NV1
More data for this
Ligand-Target Pair