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SMILES: Nc1noc2c(ncc(Cl)c12)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-n1cnnc1

InChI Key: InChIKey=LFBZOUAGVDTVKZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 352428   
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))		BDBM352428
PNG
(N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-n1cnnc1
Show InChI InChI=1S/C21H18Cl2N8O2/c22-13-5-11(30-8-26-27-9-30)2-3-12(13)21(32)28-17-10-1-4-15(17)31(7-10)20-18-16(14(23)6-25-20)19(24)29-33-18/h2-3,5-6,8-10,15,17H,1,4,7H2,(H2,24,29)(H,28,32)
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PC cid
PC sid
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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