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SMILES: Nc1noc2c(ncc(Cl)c12)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-c1ccc(=O)n(c1)C(F)F

InChI Key: InChIKey=UFANDLMQPLGBSQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 352444   
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))		BDBM352444
PNG
(N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC2CCC1C2NC(=O)c1ccc(cc1Cl)-c1ccc(=O)n(c1)C(F)F
Show InChI InChI=1S/C25H20Cl2F2N6O3/c26-15-7-11(12-3-6-18(36)35(9-12)25(28)29)1-4-14(15)24(37)32-20-13-2-5-17(20)34(10-13)23-21-19(16(27)8-31-23)22(30)33-38-21/h1,3-4,6-9,13,17,20,25H,2,5,10H2,(H2,30,33)(H,32,37)
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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