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Patent code US8987242

Compile Data Set for Download or QSAR
Found 15 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))		BDBM150291
PNG
(US8987242, 105)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(cc1)N1CCO[C@H]([C@@H](O)C(=O)Nc2ccc(cc2)C(N)=N)C1=O
Show InChI InChI=1S/C26H26N4O6S/c1-37(34,35)21-5-3-2-4-20(21)16-8-12-19(13-9-16)30-14-15-36-23(26(30)33)22(31)25(32)29-18-10-6-17(7-11-18)24(27)28/h2-13,22-23,31H,14-15H2,1H3,(H3,27,28)(H,29,32)/t22-,23-/m1/s1
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n/an/a 10n/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
Coagulation factor IX


(Homo sapiens (Human))		BDBM150295
PNG
(US8987242, aa144)
Show SMILES OC([C@H]1OCCN(C1=O)c1ccc(F)c(c1)C(=O)N1CCOCC1)C(=O)Nc1ccc2C(=N)NCc2c1
Show InChI InChI=1S/C25H26FN5O6/c26-19-4-2-16(12-18(19)24(34)30-5-8-36-9-6-30)31-7-10-37-21(25(31)35)20(32)23(33)29-15-1-3-17-14(11-15)13-28-22(17)27/h1-4,11-12,20-21,32H,5-10,13H2,(H2,27,28)(H,29,33)/t20?,21-/m1/s1
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n/an/a 13n/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
Coagulation factor IX


(Homo sapiens (Human))		BDBM150285
PNG
(US8987242, 50)
Show SMILES NC(=N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(C2=O)c2cccc(NC(=O)CO)c2)cc1 |r|
Show InChI InChI=1S/C21H23N5O6/c22-19(23)12-4-6-13(7-5-12)25-20(30)17(29)18-21(31)26(8-9-32-18)15-3-1-2-14(10-15)24-16(28)11-27/h1-7,10,17-18,27,29H,8-9,11H2,(H3,22,23)(H,24,28)(H,25,30)/t17-,18-/m1/s1
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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
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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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
Coagulation factor IX


(Homo sapiens (Human))		BDBM150286
PNG
(US8987242, 62)
Show SMILES Cc1ccc(cc1)N1CCO[C@H]([C@@H](O)C(=O)Nc2ccc3c(N)nccc3c2)C1=O |r|
Show InChI InChI=1S/C22H22N4O4/c1-13-2-5-16(6-3-13)26-10-11-30-19(22(26)29)18(27)21(28)25-15-4-7-17-14(12-15)8-9-24-20(17)23/h2-9,12,18-19,27H,10-11H2,1H3,(H2,23,24)(H,25,28)/t18-,19-/m1/s1
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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
Coagulation factor IX


(Homo sapiens (Human))		BDBM150290
PNG
(US8987242, 2)
Show SMILES Cc1ccc(cc1)N1CCOC(C(O)C(=O)Nc2ccc(cc2)C(N)=N)C1=O
Show InChI InChI=1S/C20H22N4O4/c1-12-2-8-15(9-3-12)24-10-11-28-17(20(24)27)16(25)19(26)23-14-6-4-13(5-7-14)18(21)22/h2-9,16-17,25H,10-11H2,1H3,(H3,21,22)(H,23,26)
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n/an/a 30n/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
Coagulation factor IX


(Homo sapiens (Human))		BDBM150293
PNG
(US8987242, 114)
Show SMILES Cc1ccc(cc1)N1CCCO[C@H]([C@@H](O)C(=O)Nc2ccc(cc2)C(N)=N)C1=O
Show InChI InChI=1S/C21H24N4O4/c1-13-3-9-16(10-4-13)25-11-2-12-29-18(21(25)28)17(26)20(27)24-15-7-5-14(6-8-15)19(22)23/h3-10,17-18,26H,2,11-12H2,1H3,(H3,22,23)(H,24,27)/t17-,18-/m1/s1
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n/an/a 30n/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
Coagulation factor IX


(Homo sapiens (Human))		BDBM150288
PNG
(US8987242, 1)
Show SMILES Cc1ccc(cc1)N1CCOC(C(O)C(=O)Nc2ccc3c(N)nccc3c2)C1=O
Show InChI InChI=1S/C22H22N4O4/c1-13-2-5-16(6-3-13)26-10-11-30-19(22(26)29)18(27)21(28)25-15-4-7-17-14(12-15)8-9-24-20(17)23/h2-9,12,18-19,27H,10-11H2,1H3,(H2,23,24)(H,25,28)
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n/an/a 40n/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
Coagulation factor IX


(Homo sapiens (Human))		BDBM150287
PNG
(US8987242, 67)
Show SMILES CC(C)(C)c1ccc(cc1)N1CCO[C@H]([C@@H](O)C(=O)Nc2ccc(cc2F)C(N)=N)C1=O |r|
Show InChI InChI=1S/C23H27FN4O4/c1-23(2,3)14-5-7-15(8-6-14)28-10-11-32-19(22(28)31)18(29)21(30)27-17-9-4-13(20(25)26)12-16(17)24/h4-9,12,18-19,29H,10-11H2,1-3H3,(H3,25,26)(H,27,30)/t18-,19-/m1/s1
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n/an/a 60n/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
Coagulation factor IX


(Homo sapiens (Human))		BDBM150292
PNG
(US8987242, 109)
Show SMILES CC(=O)N1CCN(C(=O)C1C(O)C(=O)Nc1ccc2c(N)nccc2c1)c1ccc(C)cc1
Show InChI InChI=1S/C24H25N5O4/c1-14-3-6-18(7-4-14)29-12-11-28(15(2)30)20(24(29)33)21(31)23(32)27-17-5-8-19-16(13-17)9-10-26-22(19)25/h3-10,13,20-21,31H,11-12H2,1-2H3,(H2,25,26)(H,27,32)
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n/an/a 60n/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
Coagulation factor IX


(Homo sapiens (Human))		BDBM150294
PNG
(US8987242, aa142)
Show SMILES OC([C@H]1OCCN(C1=O)c1ccccc1C#N)C(=O)Nc1ccc2C(=N)NCc2c1
Show InChI InChI=1S/C21H19N5O4/c22-10-12-3-1-2-4-16(12)26-7-8-30-18(21(26)29)17(27)20(28)25-14-5-6-15-13(9-14)11-24-19(15)23/h1-6,9,17-18,27H,7-8,11H2,(H2,23,24)(H,25,28)/t17?,18-/m1/s1
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n/an/a 66n/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
Coagulation factor IX


(Homo sapiens (Human))		BDBM150296
PNG
(US8987242, aa150)
Show SMILES Nc1noc2cc(NC(=O)C(O)[C@H]3OCCN(C3=O)c3cccc(c3)S(F)(F)(F)(F)F)ccc12
Show InChI InChI=1S/C19H17F5N4O5S/c20-34(21,22,23,24)12-3-1-2-11(9-12)28-6-7-32-16(19(28)31)15(29)18(30)26-10-4-5-13-14(8-10)33-27-17(13)25/h1-5,8-9,15-16,29H,6-7H2,(H2,25,27)(H,26,30)/t15?,16-/m1/s1
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n/an/a 83n/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
Coagulation factor IX


(Homo sapiens (Human))		BDBM150299
PNG
(US8987242, 21)
Show SMILES Cc1ccc(CN2CCO[C@H]([C@@H](O)C(=O)Nc3ccc(cc3)C(N)=N)C2=O)cc1 |r|
Show InChI InChI=1S/C21H24N4O4/c1-13-2-4-14(5-3-13)12-25-10-11-29-18(21(25)28)17(26)20(27)24-16-8-6-15(7-9-16)19(22)23/h2-9,17-18,26H,10-12H2,1H3,(H3,22,23)(H,24,27)/t17-,18-/m1/s1
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n/an/a 130n/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
Coagulation factor IX


(Homo sapiens (Human))		BDBM150297
PNG
(US8987242, aa151)
Show SMILES Nc1noc2cc(NC(=O)C(O)[C@H]3OCCN(C3=O)c3ccc(cc3)S(F)(F)(F)(F)F)ccc12
Show InChI InChI=1S/C19H17F5N4O5S/c20-34(21,22,23,24)12-4-2-11(3-5-12)28-7-8-32-16(19(28)31)15(29)18(30)26-10-1-6-13-14(9-10)33-27-17(13)25/h1-6,9,15-16,29H,7-8H2,(H2,25,27)(H,26,30)/t15?,16-/m1/s1
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n/an/a 380n/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
Coagulation factor IX


(Homo sapiens (Human))		BDBM150298
PNG
(US8987242, aa152)
Show SMILES Nc1noc2cc(NC(=O)C(O)[C@H]3OCCN(C3=O)c3ccc(F)c(c3)C(=O)N3CCOCC3)c(F)cc12
Show InChI InChI=1S/C24H23F2N5O7/c25-15-2-1-12(9-13(15)23(34)30-3-6-36-7-4-30)31-5-8-37-20(24(31)35)19(32)22(33)28-17-11-18-14(10-16(17)26)21(27)29-38-18/h1-2,9-11,19-20,32H,3-8H2,(H2,27,29)(H,28,33)/t19?,20-/m1/s1
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n/an/a 1.20E+3n/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
* indicates data uncertainty>20%