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Patent code US8980916

Compile Data Set for Download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Coagulation factor IX


(Homo sapiens (Human))		BDBM150231
PNG
(US8980916, 6)
Show SMILES CC(C)(C)c1ccc(cc1)-n1cccc(C(O)C(=O)Nc2ccc3c(N)nccc3c2)c1=O
Show InChI InChI=1S/C26H26N4O3/c1-26(2,3)17-6-9-19(10-7-17)30-14-4-5-21(25(30)33)22(31)24(32)29-18-8-11-20-16(15-18)12-13-28-23(20)27/h4-15,22,31H,1-3H3,(H2,27,28)(H,29,32)
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US Patent
n/an/a 54n/an/an/an/a8.025



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 US8980916 (2015)


BindingDB Entry DOI: 10.7270/Q2RB739T
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))		BDBM150232
PNG
(US8980916, 5)
Show SMILES CC(C)(C)c1ccc(cc1)-n1cccc(C(O)C(=O)Nc2ccc3c(N)noc3c2)c1=O
Show InChI InChI=1S/C24H24N4O4/c1-24(2,3)14-6-9-16(10-7-14)28-12-4-5-18(23(28)31)20(29)22(30)26-15-8-11-17-19(13-15)32-27-21(17)25/h4-13,20,29H,1-3H3,(H2,25,27)(H,26,30)
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US Patent
n/an/a 1.00E+3n/an/an/an/a8.025



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 US8980916 (2015)


BindingDB Entry DOI: 10.7270/Q2RB739T
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))		BDBM150230
PNG
(US8980916, 2)
Show SMILES Nc1noc2cc(NC(=O)C(O)c3cccn(-c4ccc(OC(F)(F)F)cc4)c3=O)ccc12
Show InChI InChI=1S/C21H15F3N4O5/c22-21(23,24)32-13-6-4-12(5-7-13)28-9-1-2-15(20(28)31)17(29)19(30)26-11-3-8-14-16(10-11)33-27-18(14)25/h1-10,17,29H,(H2,25,27)(H,26,30)
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US Patent
n/an/a 8.60E+3n/an/an/an/a8.025



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 US8980916 (2015)


BindingDB Entry DOI: 10.7270/Q2RB739T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%