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Patent code US9969724

Compile Data Set for Download or QSAR
Found 53 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))
BDBM50240484
PNG
(CHEMBL4085322 | US9969724, Example 1)
Show SMILES Nc1noc2c(cccc12)N1CCC(C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1
Show InChI InChI=1/C20H18ClN7O2/c21-16-8-13(28-10-23-24-11-28)4-5-14(16)20(29)25-12-6-7-27(9-12)17-3-1-2-15-18(17)30-26-19(15)22/h1-5,8,10-12H,6-7,9H2,(H2,22,26)(H,25,29)
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393722
PNG
((R)óN-(1-(3-Amino-4-chloroisoxazolo[5,4-c]pyridin-...)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnc2ncncc12
Show InChI InChI=1S/C22H17Cl2N9O2/c23-14-5-12(33-10-29-20-16(33)7-26-9-28-20)1-2-13(14)22(34)30-11-3-4-32(8-11)21-18-17(15(24)6-27-21)19(25)31-35-18/h1-2,5-7,9-11H,3-4,8H2,(H2,25,31)(H,30,34)/t11-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393679
PNG
(N-((3S*,4S*)-1-(3-Aminobenzo[d]isoxazol-7-yl)-4-hy...)
Show SMILES Nc1noc2c(cccc12)N1C[C@H](O)[C@H](C1)NC(=O)c1c(Cl)cc(cc1Cl)-n1cnnc1
Show InChI InChI=1S/C20H17Cl2N7O3/c21-12-4-10(29-8-24-25-9-29)5-13(22)17(12)20(31)26-14-6-28(7-16(14)30)15-3-1-2-11-18(15)32-27-19(11)23/h1-5,8-9,14,16,30H,6-7H2,(H2,23,27)(H,26,31)/t14-,16-/m0/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240475
PNG
(CHEMBL4080361 | US9969724, Example 9)
Show SMILES Nc1noc2c(ccc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1
Show InChI InChI=1/C20H17Cl2N7O2/c21-14-3-4-16(18-17(14)19(23)27-31-18)28-6-5-11(8-28)26-20(30)13-2-1-12(7-15(13)22)29-9-24-25-10-29/h1-4,7,9-11H,5-6,8H2,(H2,23,27)(H,26,30)/t11-/s2
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393694
PNG
((R)óN-(1-(3-Amino-4-chlorobenzo[d]isoxazol-7-yl)py...)
Show SMILES Nc1noc2c(ccc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnc(CCO)n1
Show InChI InChI=1S/C22H21Cl2N7O3/c23-15-3-4-17(20-19(15)21(25)29-34-20)30-7-5-12(10-30)27-22(33)14-2-1-13(9-16(14)24)31-11-26-18(28-31)6-8-32/h1-4,9,11-12,32H,5-8,10H2,(H2,25,29)(H,27,33)/t12-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240470
PNG
(CHEMBL4092982 | US9969724, Example 27)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnc(CCO)c1
Show InChI InChI=1/C22H21Cl2N7O3/c23-16-7-14(31-9-12(4-6-32)27-11-31)1-2-15(16)22(33)28-13-3-5-30(10-13)21-19-18(17(24)8-26-21)20(25)29-34-19/h1-2,7-9,11,13,32H,3-6,10H2,(H2,25,29)(H,28,33)/t13-/s2
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240493
PNG
(CHEMBL4085239 | US9969724, Example 28)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1C(F)F
Show InChI InChI=1/C20H16Cl2F2N8O2/c21-12-5-10(32-8-27-29-19(32)16(23)24)1-2-11(12)20(33)28-9-3-4-31(7-9)18-15-14(13(22)6-26-18)17(25)30-34-15/h1-2,5-6,8-9,16H,3-4,7H2,(H2,25,30)(H,28,33)/t9-/s2
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393674
PNG
(N-(1-(3-Aminobenzo[d]isoxazol-7-yl)-3-phenylpyrrol...)
Show SMILES Nc1noc2c(cccc12)N1CCC(C1)(NC(=O)c1c(Cl)cc(cc1Cl)-n1cnnc1)c1ccccc1
Show InChI InChI=1S/C26H21Cl2N7O2/c27-19-11-17(35-14-30-31-15-35)12-20(28)22(19)25(36)32-26(16-5-2-1-3-6-16)9-10-34(13-26)21-8-4-7-18-23(21)37-33-24(18)29/h1-8,11-12,14-15H,9-10,13H2,(H2,29,33)(H,32,36)
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393720
PNG
((R)óN-(1-(3-Amino-5-methylisoxazolo[5,4-c]pyridin-...)
Show SMILES Cc1cc2c(N)noc2c(n1)N1CC[C@H](C1)NC(=O)c1c(Cl)cc(cc1Cl)-n1cnn(C)c1=O
Show InChI InChI=1S/C21H20Cl2N8O3/c1-10-5-13-17(34-28-18(13)24)19(26-10)30-4-3-11(8-30)27-20(32)16-14(22)6-12(7-15(16)23)31-9-25-29(2)21(31)33/h5-7,9,11H,3-4,8H2,1-2H3,(H2,24,28)(H,27,32)/t11-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393714
PNG
((R)óN-(1-(3-Amino-4-chloroisoxazolo[5,4-c]pyridin-...)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1C(F)(F)F
Show InChI InChI=1S/C20H15Cl2F3N8O2/c21-12-5-10(33-8-28-30-19(33)20(23,24)25)1-2-11(12)18(34)29-9-3-4-32(7-9)17-15-14(13(22)6-27-17)16(26)31-35-15/h1-2,5-6,8-9H,3-4,7H2,(H2,26,31)(H,29,34)/t9-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393686
PNG
(N-(1-(3-Amino-5-chlorobenzo[d]isoxazol-7-yl)-3-met...)
Show SMILES Cc1ncn(n1)-c1ccc(C(=O)NC2(C)CCN(C2)c2cc(Cl)cc3c(N)noc23)c(Cl)c1
Show InChI InChI=1S/C22H21Cl2N7O2/c1-12-26-11-31(28-12)14-3-4-15(17(24)9-14)21(32)27-22(2)5-6-30(10-22)18-8-13(23)7-16-19(18)33-29-20(16)25/h3-4,7-9,11H,5-6,10H2,1-2H3,(H2,25,29)(H,27,32)
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240471
PNG
(CHEMBL4069082 | US9969724, Example 45)
Show SMILES Cn1ncn(-c2ccc(C(=O)N[C@@H]3CCN(C3)c3ncc(Cl)c4c(N)noc34)c(Cl)c2)c1=O
Show InChI InChI=1/C20H18Cl2N8O3/c1-28-20(32)30(9-25-28)11-2-3-12(13(21)6-11)19(31)26-10-4-5-29(8-10)18-16-15(14(22)7-24-18)17(23)27-33-16/h2-3,6-7,9-10H,4-5,8H2,1H3,(H2,23,27)(H,26,31)/t10-/s2
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240477
PNG
(CHEMBL4074983 | US9969724, Example 44)
Show SMILES Cn1cc(cnc1=O)-c1ccc(C(=O)N[C@@H]2CCN(C2)c2ncc(Cl)c3c(N)noc23)c(Cl)c1
Show InChI InChI=1/C22H19Cl2N7O3/c1-30-9-12(7-27-22(30)33)11-2-3-14(15(23)6-11)21(32)28-13-4-5-31(10-13)20-18-17(16(24)8-26-20)19(25)29-34-18/h2-3,6-9,13H,4-5,10H2,1H3,(H2,25,29)(H,28,32)/t13-/s2
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393713
PNG
((R)óN-(1-(3-Amino-5-methylisoxazolo[5,4-c]pyridin-...)
Show SMILES Cc1cc2c(N)noc2c(n1)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cc(CCO)nn1
Show InChI InChI=1S/C22H23ClN8O3/c1-12-8-17-19(34-28-20(17)24)21(25-12)30-6-4-13(10-30)26-22(33)16-3-2-15(9-18(16)23)31-11-14(5-7-32)27-29-31/h2-3,8-9,11,13,32H,4-7,10H2,1H3,(H2,24,28)(H,26,33)/t13-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393724
PNG
(US9969724, Example 53)
Show SMILES Nc1noc2c(ccc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-c1ccnc(CO)c1
Show InChI InChI=1S/C24H21Cl2N5O3/c25-18-3-4-20(22-21(18)23(27)30-34-22)31-8-6-15(11-31)29-24(33)17-2-1-13(10-19(17)26)14-5-7-28-16(9-14)12-32/h1-5,7,9-10,15,32H,6,8,11-12H2,(H2,27,30)(H,29,33)/t15-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240488
PNG
(CHEMBL4060976 | US9969724, Example 5)
Show SMILES Nc1noc2c(nccc12)N1CCC(C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1
Show InChI InChI=1/C19H17ClN8O2/c20-15-7-12(28-9-23-24-10-28)1-2-13(15)19(29)25-11-4-6-27(8-11)18-16-14(3-5-22-18)17(21)26-30-16/h1-3,5,7,9-11H,4,6,8H2,(H2,21,26)(H,25,29)
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393688
PNG
((R)óN-(1-(3-Amino-5-chlorobenzo[d]isoxazol-7-yl)py...)
Show SMILES Nc1noc2c(cc(Cl)cc12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnc(n1)C1CC1
Show InChI InChI=1S/C23H21Cl2N7O2/c24-13-7-17-20(34-30-21(17)26)19(8-13)31-6-5-14(10-31)28-23(33)16-4-3-15(9-18(16)25)32-11-27-22(29-32)12-1-2-12/h3-4,7-9,11-12,14H,1-2,5-6,10H2,(H2,26,30)(H,28,33)/t14-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393704
PNG
((R)óN-(1-(3-Amino-4-chloroisoxazolo[5,4-c]pyridin-...)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-c1cnccn1
Show InChI InChI=1S/C21H17Cl2N7O2/c22-14-7-11(16-9-25-4-5-26-16)1-2-13(14)21(31)28-12-3-6-30(10-12)20-18-17(15(23)8-27-20)19(24)29-32-18/h1-2,4-5,7-9,12H,3,6,10H2,(H2,24,29)(H,28,31)/t12-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393721
PNG
((R)óN-(1-(3-Amino-4-chloroisoxazolo[5,4-c]pyridin-...)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnn(CC(F)(F)F)c1=O
Show InChI InChI=1S/C21H17Cl2F3N8O3/c22-13-5-11(33-9-29-34(20(33)36)8-21(24,25)26)1-2-12(13)19(35)30-10-3-4-32(7-10)18-16-15(14(23)6-28-18)17(27)31-37-16/h1-2,5-6,9-10H,3-4,7-8H2,(H2,27,31)(H,30,35)/t10-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393677
PNG
(N-(1-(3-Amino-5-methylbenzo[d]isoxazol-7-yl)pyrrol...)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC2CCN(C2)c2cc(C)cc3c(N)noc23)c(Cl)c1
Show InChI InChI=1S/C22H21Cl2N7O2/c1-11-5-15-20(33-29-21(15)25)18(6-11)30-4-3-13(9-30)27-22(32)19-16(23)7-14(8-17(19)24)31-10-26-12(2)28-31/h5-8,10,13H,3-4,9H2,1-2H3,(H2,25,29)(H,27,32)
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240491
PNG
(CHEMBL4065316 | US9969724, Example 11)
Show SMILES Cc1ncn(n1)-c1ccc(C(=O)N[C@@H]2CCN(C2)c2ncc(Cl)c3c(N)noc23)c(Cl)c1
Show InChI InChI=1/C20H18Cl2N8O2/c1-10-25-9-30(27-10)12-2-3-13(14(21)6-12)20(31)26-11-4-5-29(8-11)19-17-16(15(22)7-24-19)18(23)28-32-17/h2-3,6-7,9,11H,4-5,8H2,1H3,(H2,23,28)(H,26,31)/t11-/s2
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393695
PNG
((R)óN-(1-(3-Amino-4-chloroisoxazolo[5,4-c]pyridin-...)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cncn1
Show InChI InChI=1S/C19H16Cl2N8O2/c20-13-5-11(29-9-23-8-25-29)1-2-12(13)19(30)26-10-3-4-28(7-10)18-16-15(14(21)6-24-18)17(22)27-31-16/h1-2,5-6,8-10H,3-4,7H2,(H2,22,27)(H,26,30)/t10-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240476
PNG
(CHEMBL4087720 | US9969724, Example 29)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnc2ccccc12
Show InChI InChI=1/C24H19Cl2N7O2/c25-16-9-14(33-12-29-18-3-1-2-4-19(18)33)5-6-15(16)24(34)30-13-7-8-32(11-13)23-21-20(17(26)10-28-23)22(27)31-35-21/h1-6,9-10,12-13H,7-8,11H2,(H2,27,31)(H,30,34)/t13-/s2
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393702
PNG
((R)óN-(1-(3-Amino-4-chloroisoxazolo[5,4-c]pyridin-...)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-c1cncc(CCO)c1
Show InChI InChI=1S/C24H22Cl2N6O3/c25-18-8-14(15-7-13(4-6-33)9-28-10-15)1-2-17(18)24(34)30-16-3-5-32(12-16)23-21-20(19(26)11-29-23)22(27)31-35-21/h1-2,7-11,16,33H,3-6,12H2,(H2,27,31)(H,30,34)/t16-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240487
PNG
(CHEMBL4066380 | US9969724, Example 32)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnc2ncccc12
Show InChI InChI=1/C23H18Cl2N8O2/c24-15-8-13(33-11-29-21-17(33)2-1-6-27-21)3-4-14(15)23(34)30-12-5-7-32(10-12)22-19-18(16(25)9-28-22)20(26)31-35-19/h1-4,6,8-9,11-12H,5,7,10H2,(H2,26,31)(H,30,34)/t12-/s2
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393673
PNG
(N-(1-(3-Aminobenzo[d]isoxazol-7-yl)-3-methylpyrrol...)
Show SMILES CC1(CCN(C1)c1cccc2c(N)noc12)NC(=O)c1c(Cl)cc(cc1Cl)-n1cnnc1
Show InChI InChI=1S/C21H19Cl2N7O2/c1-21(5-6-29(9-21)16-4-2-3-13-18(16)32-28-19(13)24)27-20(31)17-14(22)7-12(8-15(17)23)30-10-25-26-11-30/h2-4,7-8,10-11H,5-6,9H2,1H3,(H2,24,28)(H,27,31)
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393692
PNG
((R)óN-(1-(3-Amino-4-chloroisoxazolo[5,4-c]pyridin-...)
Show SMILES COc1ncc(cn1)-c1ccc(C(=O)N[C@@H]2CCN(C2)c2ncc(Cl)c3c(N)noc23)c(Cl)c1
Show InChI InChI=1S/C22H19Cl2N7O3/c1-33-22-27-7-12(8-28-22)11-2-3-14(15(23)6-11)21(32)29-13-4-5-31(10-13)20-18-17(16(24)9-26-20)19(25)30-34-18/h2-3,6-9,13H,4-5,10H2,1H3,(H2,25,30)(H,29,32)/t13-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393697
PNG
((R)óN-(1-(3-Amino-4-chlorobenzo[d]isoxazol-7-yl)py...)
Show SMILES Nc1noc2c(ccc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cc(CCO)cn1
Show InChI InChI=1S/C23H22Cl2N6O3/c24-17-3-4-19(21-20(17)22(26)29-34-21)30-7-5-14(12-30)28-23(33)16-2-1-15(9-18(16)25)31-11-13(6-8-32)10-27-31/h1-4,9-11,14,32H,5-8,12H2,(H2,26,29)(H,28,33)/t14-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393701
PNG
((R)óN-(1-(3-Amino-4-chloroisoxazolo[5,4-c]pyridin-...)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-c1ccnnc1
Show InChI InChI=1S/C21H17Cl2N7O2/c22-15-7-11(12-3-5-26-27-8-12)1-2-14(15)21(31)28-13-4-6-30(10-13)20-18-17(16(23)9-25-20)19(24)29-32-18/h1-3,5,7-9,13H,4,6,10H2,(H2,24,29)(H,28,31)/t13-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393709
PNG
((R)-4-([1,2,4]Triazolo[4,3-a]pyridin-6-yl)-N-(1-(3...)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-c1ccc2nncn2c1
Show InChI InChI=1S/C23H18Cl2N8O2/c24-16-7-12(13-2-4-18-30-28-11-33(18)9-13)1-3-15(16)23(34)29-14-5-6-32(10-14)22-20-19(17(25)8-27-22)21(26)31-35-20/h1-4,7-9,11,14H,5-6,10H2,(H2,26,31)(H,29,34)/t14-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393711
PNG
((R)óN-(1-(3-Amino-4-chloroisoxazolo[5,4-c]pyridin-...)
Show SMILES Cn1nc(ccc1=O)-c1ccc(C(=O)N[C@@H]2CCN(C2)c2ncc(Cl)c3c(N)noc23)c(Cl)c1
Show InChI InChI=1S/C22H19Cl2N7O3/c1-30-17(32)5-4-16(28-30)11-2-3-13(14(23)8-11)22(33)27-12-6-7-31(10-12)21-19-18(15(24)9-26-21)20(25)29-34-19/h2-5,8-9,12H,6-7,10H2,1H3,(H2,25,29)(H,27,33)/t12-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393712
PNG
((R)óN-(1-(3-Amino-5-cyanoisoxazolo[5,4-c]pyridin-7...)
Show SMILES Cc1ncn(n1)-c1ccc(C(=O)N[C@@H]2CCN(C2)c2nc(cc3c(N)noc23)C#N)c(Cl)c1
Show InChI InChI=1S/C21H18ClN9O2/c1-11-25-10-31(28-11)14-2-3-15(17(22)7-14)21(32)27-12-4-5-30(9-12)20-18-16(19(24)29-33-18)6-13(8-23)26-20/h2-3,6-7,10,12H,4-5,9H2,1H3,(H2,24,29)(H,27,32)/t12-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393717
PNG
((R)óN-(1-(3-Amino-4-chloroisoxazolo[5,4-c]pyridin-...)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cn[nH]c1=O
Show InChI InChI=1/C19H16Cl2N8O3/c20-12-5-10(29-8-24-26-19(29)31)1-2-11(12)18(30)25-9-3-4-28(7-9)17-15-14(13(21)6-23-17)16(22)27-32-15/h1-2,5-6,8-9H,3-4,7H2,(H2,22,27)(H,25,30)(H,26,31)/t9-/s2
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393719
PNG
((R)óN-(1-(3-Amino-4-chloroisoxazolo[5,4-c]pyridin-...)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnc2cncnc12
Show InChI InChI=1S/C22H17Cl2N9O2/c23-14-5-12(33-10-29-16-7-26-9-28-20(16)33)1-2-13(14)22(34)30-11-3-4-32(8-11)21-18-17(15(24)6-27-21)19(25)31-35-18/h1-2,5-7,9-11H,3-4,8H2,(H2,25,31)(H,30,34)/t11-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240483
PNG
(CHEMBL4099310 | US9969724, Example 12)
Show SMILES Cc1cc(N2CC[C@H](C2)NC(=O)c2ccc(cc2Cl)-n2cnnc2)c2onc(N)c2c1Cl
Show InChI InChI=1/C21H19Cl2N7O2/c1-11-6-16(19-17(18(11)23)20(24)28-32-19)29-5-4-12(8-29)27-21(31)14-3-2-13(7-15(14)22)30-9-25-26-10-30/h2-3,6-7,9-10,12H,4-5,8H2,1H3,(H2,24,28)(H,27,31)/t12-/s2
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240489
PNG
(CHEMBL4101793 | US9969724, Example 20)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-c1cncnc1
Show InChI InChI=1/C21H17Cl2N7O2/c22-15-5-11(12-6-25-10-26-7-12)1-2-14(15)21(31)28-13-3-4-30(9-13)20-18-17(16(23)8-27-20)19(24)29-32-18/h1-2,5-8,10,13H,3-4,9H2,(H2,24,29)(H,28,31)/t13-/s2
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393693
PNG
((R)óN-(1-(3-Amino-4-chloroisoxazolo[5,4-c]pyridin-...)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-c1cnc(nc1)C#N
Show InChI InChI=1S/C22H16Cl2N8O2/c23-15-5-11(12-7-27-17(6-25)28-8-12)1-2-14(15)22(33)30-13-3-4-32(10-13)21-19-18(16(24)9-29-21)20(26)31-34-19/h1-2,5,7-9,13H,3-4,10H2,(H2,26,31)(H,30,33)/t13-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393705
PNG
((R)óN-(1-(3-Amino-5-cyanobenzo[d]isoxazol-7-yl)pyr...)
Show SMILES Cc1ncn(n1)-c1ccc(C(=O)N[C@@H]2CCN(C2)c2cc(cc3c(N)noc23)C#N)c(Cl)c1
Show InChI InChI=1S/C22H19ClN8O2/c1-12-26-11-31(28-12)15-2-3-16(18(23)8-15)22(32)27-14-4-5-30(10-14)19-7-13(9-24)6-17-20(19)33-29-21(17)25/h2-3,6-8,11,14H,4-5,10H2,1H3,(H2,25,29)(H,27,32)/t14-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393707
PNG
((R)óN-(1-(3-Amino-4-chloroisoxazolo[5,4-c]pyridin-...)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1)-n1cnnc1
Show InChI InChI=1S/C19H17ClN8O2/c20-14-7-22-18(16-15(14)17(21)26-30-16)27-6-5-12(8-27)25-19(29)11-1-3-13(4-2-11)28-9-23-24-10-28/h1-4,7,9-10,12H,5-6,8H2,(H2,21,26)(H,25,29)/t12-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393718
PNG
((R)óN-(1-(3-Amino-4-chloroisoxazolo[5,4-c]pyridin-...)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnn(CCO)c1=O
Show InChI InChI=1S/C21H20Cl2N8O4/c22-14-7-12(30-10-26-31(5-6-32)21(30)34)1-2-13(14)20(33)27-11-3-4-29(9-11)19-17-16(15(23)8-25-19)18(24)28-35-17/h1-2,7-8,10-11,32H,3-6,9H2,(H2,24,28)(H,27,33)/t11-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393678
PNG
(N-((3R*,4S*)-1-(3-Aminobenzo[d]isoxazol-7-yl)-3,4-...)
Show SMILES C[C@H]1CN(C[C@]1(C)NC(=O)c1c(Cl)cc(cc1Cl)-n1cnnc1)c1cccc2c(N)noc12
Show InChI InChI=1S/C22H21Cl2N7O2/c1-12-8-30(17-5-3-4-14-19(17)33-29-20(14)25)9-22(12,2)28-21(32)18-15(23)6-13(7-16(18)24)31-10-26-27-11-31/h3-7,10-12H,8-9H2,1-2H3,(H2,25,29)(H,28,32)/t12-,22-/m0/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240479
PNG
(CHEMBL4072364 | US9969724, Example 14)
Show SMILES Nc1noc2c(cc(Cl)c(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1
Show InChI InChI=1/C20H16Cl3N7O2/c21-13-5-11(30-8-25-26-9-30)1-2-12(13)20(31)27-10-3-4-29(7-10)15-6-14(22)17(23)16-18(15)32-28-19(16)24/h1-2,5-6,8-10H,3-4,7H2,(H2,24,28)(H,27,31)/t10-/s2
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393687
PNG
((R)óN-(1-(3-Amino-5-chlorobenzo[d]isoxazol-7-yl)py...)
Show SMILES Nc1noc2c(cc(Cl)cc12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnc(CO)n1
Show InChI InChI=1S/C21H19Cl2N7O3/c22-11-5-15-19(33-28-20(15)24)17(6-11)29-4-3-12(8-29)26-21(32)14-2-1-13(7-16(14)23)30-10-25-18(9-31)27-30/h1-2,5-7,10,12,31H,3-4,8-9H2,(H2,24,28)(H,26,32)/t12-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393696
PNG
((R)óN-(1-(3-Amino-4-chlorobenzo[d]isoxazol-7-yl)py...)
Show SMILES Nc1noc2c(ccc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-c1cncc(CO)c1
Show InChI InChI=1S/C24H21Cl2N5O3/c25-18-3-4-20(22-21(18)23(27)30-34-22)31-6-5-16(11-31)29-24(33)17-2-1-14(8-19(17)26)15-7-13(12-32)9-28-10-15/h1-4,7-10,16,32H,5-6,11-12H2,(H2,27,30)(H,29,33)/t16-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393706
PNG
((R)óN-(1-(3-Amino-4-chloroisoxazolo[5,4-c]pyridin-...)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-c1ccc(=O)n(CC(F)(F)F)c1
Show InChI InChI=1S/C24H19Cl2F3N6O3/c25-16-7-12(13-2-4-18(36)35(9-13)11-24(27,28)29)1-3-15(16)23(37)32-14-5-6-34(10-14)22-20-19(17(26)8-31-22)21(30)33-38-20/h1-4,7-9,14H,5-6,10-11H2,(H2,30,33)(H,32,37)/t14-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393708
PNG
((R)óN-(1-(3-Amino-4-chloroisoxazolo[5,4-c]pyridin-...)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-c1ccc(=O)n(c1)C(F)F
Show InChI InChI=1S/C23H18Cl2F2N6O3/c24-15-7-11(12-2-4-17(34)33(9-12)23(26)27)1-3-14(15)22(35)30-13-5-6-32(10-13)21-19-18(16(25)8-29-21)20(28)31-36-19/h1-4,7-9,13,23H,5-6,10H2,(H2,28,31)(H,30,35)/t13-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393681
PNG
((R)óN-(1-(3-Amino-5-chlorobenzo[d]isoxazol-7-yl)py...)
Show SMILES Nc1noc2c(cc(Cl)cc12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1
Show InChI InChI=1S/C20H17Cl2N7O2/c21-11-5-15-18(31-27-19(15)23)17(6-11)28-4-3-12(8-28)26-20(30)14-2-1-13(7-16(14)22)29-9-24-25-10-29/h1-2,5-7,9-10,12H,3-4,8H2,(H2,23,27)(H,26,30)/t12-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393723
PNG
((R)óN-(1-(3-Amino-4-chloroisoxazolo[5,4-c]pyridin-...)
Show SMILES Cc1ncn(n1)-c1cnc(C(=O)N[C@@H]2CCN(C2)c2ncc(Cl)c3c(N)noc23)c(Cl)c1
Show InChI InChI=1S/C19H17Cl2N9O2/c1-9-25-8-30(27-9)11-4-12(20)15(23-5-11)19(31)26-10-2-3-29(7-10)18-16-14(13(21)6-24-18)17(22)28-32-16/h4-6,8,10H,2-3,7H2,1H3,(H2,22,28)(H,26,31)/t10-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240486
PNG
(CHEMBL4098387 | US9969724, Example 13)
Show SMILES Nc1noc2c(ccc(F)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1
Show InChI InChI=1/C20H17ClFN7O2/c21-14-7-12(29-9-24-25-10-29)1-2-13(14)20(30)26-11-5-6-28(8-11)16-4-3-15(22)17-18(16)31-27-19(17)23/h1-4,7,9-11H,5-6,8H2,(H2,23,27)(H,26,30)/t11-/s2
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US Patent
n/an/a 550n/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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393689
PNG
((R)óN-(1-(3-Amino-4-chlorobenzo[d]isoxazol-7-yl)py...)
Show SMILES Nc1noc2c(ccc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1F)-n1cncn1
Show InChI InChI=1S/C20H17ClFN7O2/c21-14-3-4-16(18-17(14)19(23)27-31-18)28-6-5-11(8-28)26-20(30)13-2-1-12(7-15(13)22)29-10-24-9-25-29/h1-4,7,9-11H,5-6,8H2,(H2,23,27)(H,26,30)/t11-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393675
PNG
(N-(1-(3-Aminobenzo[d]isothiazol-7-yl)pyrrolidin-3-...)
Show SMILES Nc1nsc2c(cccc12)N1CCC(C1)NC(=O)c1c(Cl)cc(cc1Cl)-n1cnnc1
Show InChI InChI=1S/C20H17Cl2N7OS/c21-14-6-12(29-9-24-25-10-29)7-15(22)17(14)20(30)26-11-4-5-28(8-11)16-3-1-2-13-18(16)31-27-19(13)23/h1-3,6-7,9-11H,4-5,8H2,(H2,23,27)(H,26,30)
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393690
PNG
((R)óN-(1-(3-Amino-4-chlorobenzo[d]isoxazol-7-yl)py...)
Show SMILES Cc1cc(ccc1C(=O)N[C@@H]1CCN(C1)c1ccc(Cl)c2c(N)noc12)-n1cncn1
Show InChI InChI=1S/C21H20ClN7O2/c1-12-8-14(29-11-24-10-25-29)2-3-15(12)21(30)26-13-6-7-28(9-13)17-5-4-16(22)18-19(17)31-27-20(18)23/h2-5,8,10-11,13H,6-7,9H2,1H3,(H2,23,27)(H,26,30)/t13-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM393710
PNG
((R)óN-(1-(3-Amino-5-(difluoromethyl)isoxazolo[5,4-...)
Show SMILES Cc1ncn(n1)-c1ccc(C(=O)N[C@@H]2CCN(C2)c2nc(cc3c(N)noc23)C(F)F)c(Cl)c1
Show InChI InChI=1S/C21H19ClF2N8O2/c1-10-26-9-32(29-10)12-2-3-13(15(22)6-12)21(33)27-11-4-5-31(8-11)20-17-14(19(25)30-34-17)7-16(28-20)18(23)24/h2-3,6-7,9,11,18H,4-5,8H2,1H3,(H2,25,30)(H,27,33)/t11-/m1/s1
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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 US9969724 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%