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Patent code US10189819

Compile Data Set for Download or QSAR
Found 87 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))
BDBM324222
PNG
(US10189819, Example 59)
Show SMILES COc1cc2nc([nH]c2cc1Cl)C(CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C27H21Cl3N6O4/c1-13-32-12-36(35-13)16-7-19(29)24(20(30)8-16)26(37)31-11-17(14-4-3-5-15(6-14)27(38)39)25-33-21-9-18(28)23(40-2)10-22(21)34-25/h3-10,12,17H,11H2,1-2H3,(H,31,37)(H,33,34)(H,38,39)
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n/an/a 1.5n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324225
PNG
(US10189819, Example 62)
Show SMILES COc1cc2nc([nH]c2cc1Cl)C(CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cccc(CC(O)=O)c1
Show InChI InChI=1S/C28H23Cl3N6O4/c1-14-33-13-37(36-14)17-8-20(30)26(21(31)9-17)28(40)32-12-18(16-5-3-4-15(6-16)7-25(38)39)27-34-22-10-19(29)24(41-2)11-23(22)35-27/h3-6,8-11,13,18H,7,12H2,1-2H3,(H,32,40)(H,34,35)(H,38,39)
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n/an/a 1.75n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324255
PNG
(US10189819, Example 109)
Show SMILES Cc1ccc(F)c2nc([nH]c(=O)c12)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnn(C)c1=O)c1cccc(F)c1
Show InChI InChI=1S/C27H21ClF2N6O3/c1-14-6-9-21(30)23-22(14)26(38)34-24(33-23)19(15-4-3-5-16(29)10-15)12-31-25(37)18-8-7-17(11-20(18)28)36-13-32-35(2)27(36)39/h3-11,13,19H,12H2,1-2H3,(H,31,37)(H,33,34,38)/t19-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324235
PNG
(US10189819, Example 78)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2ccc3[nH]c(C)nc3c2F)c(Cl)c1
Show InChI InChI=1S/C26H20Cl2F2N6O/c1-13-32-12-36(35-13)17-9-20(27)23(21(28)10-17)26(37)31-11-19(15-4-3-5-16(29)8-15)18-6-7-22-25(24(18)30)34-14(2)33-22/h3-10,12,19H,11H2,1-2H3,(H,31,37)(H,33,34)/t19-/m0/s1
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n/an/a 1.93n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324250
PNG
(US10189819, Example 104)
Show SMILES OC(=O)c1ccc2ncn(-c3ccc(C(=O)NCC(c4cccc(F)c4)c4nc5c(F)ccc(Cl)c5c(=O)[nH]4)c(Cl)c3)c2c1
Show InChI InChI=1S/C31H19Cl2F2N5O4/c32-21-7-8-23(35)27-26(21)30(42)39-28(38-27)20(15-2-1-3-17(34)10-15)13-36-29(41)19-6-5-18(12-22(19)33)40-14-37-24-9-4-16(31(43)44)11-25(24)40/h1-12,14,20H,13H2,(H,36,41)(H,43,44)(H,38,39,42)
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n/an/a 1.97n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324221
PNG
(US10189819, Example 58)
Show SMILES COc1cc2nc([nH]c2cc1Cl)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C27H22Cl3N7O3/c1-13-33-12-37(36-13)16-7-19(29)24(20(30)8-16)27(39)32-11-17(14-3-5-15(6-4-14)25(31)38)26-34-21-9-18(28)23(40-2)10-22(21)35-26/h3-10,12,17H,11H2,1-2H3,(H2,31,38)(H,32,39)(H,34,35)/t17-/m0/s1
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n/an/a 2.36n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324216
PNG
(US10189819, Example 53)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnnc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H21Cl2FN6O/c1-14-7-22-23(8-15(14)2)34-25(33-22)19(16-3-5-17(29)6-4-16)11-30-26(36)24-20(27)9-18(10-21(24)28)35-12-31-32-13-35/h3-10,12-13,19H,11H2,1-2H3,(H,30,36)(H,33,34)
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n/an/a 2.82n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324211
PNG
(US10189819, Example 48 | US10189819, Example 54)
Show SMILES COc1cc2nc([nH]c2cc1Cl)C(CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cccc(F)c1
Show InChI InChI=1S/C26H20Cl3FN6O2/c1-13-32-12-36(35-13)16-7-19(28)24(20(29)8-16)26(37)31-11-17(14-4-3-5-15(30)6-14)25-33-21-9-18(27)23(38-2)10-22(21)34-25/h3-10,12,17H,11H2,1-2H3,(H,31,37)(H,33,34)
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Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324211
PNG
(US10189819, Example 48 | US10189819, Example 54)
Show SMILES COc1cc2nc([nH]c2cc1Cl)C(CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cccc(F)c1
Show InChI InChI=1S/C26H20Cl3FN6O2/c1-13-32-12-36(35-13)16-7-19(28)24(20(29)8-16)26(37)31-11-17(14-4-3-5-15(30)6-14)25-33-21-9-18(27)23(38-2)10-22(21)34-25/h3-10,12,17H,11H2,1-2H3,(H,31,37)(H,33,34)
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Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324230
PNG
(US10189819, Example 67)
Show SMILES COc1cc2nc([nH]c2cc1Cl)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cccc(c1)C(=O)NC1CC1
Show InChI InChI=1S/C30H26Cl3N7O3/c1-15-35-14-40(39-15)19-9-22(32)27(23(33)10-19)30(42)34-13-20(16-4-3-5-17(8-16)29(41)36-18-6-7-18)28-37-24-11-21(31)26(43-2)12-25(24)38-28/h3-5,8-12,14,18,20H,6-7,13H2,1-2H3,(H,34,42)(H,36,41)(H,37,38)/t20-/m0/s1
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Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324251
PNG
(US10189819, Example 105)
Show SMILES OC(=O)c1ccc2n(cnc2c1)-c1ccc(C(=O)NCC(c2cccc(F)c2)c2nc3c(F)ccc(Cl)c3c(=O)[nH]2)c(Cl)c1
Show InChI InChI=1S/C31H19Cl2F2N5O4/c32-21-7-8-23(35)27-26(21)30(42)39-28(38-27)20(15-2-1-3-17(34)10-15)13-36-29(41)19-6-5-18(12-22(19)33)40-14-37-24-11-16(31(43)44)4-9-25(24)40/h1-12,14,20H,13H2,(H,36,41)(H,43,44)(H,38,39,42)
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Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324178
PNG
(US10189819, Example 7)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnnc1)c1ccccc1
Show InChI InChI=1S/C26H22Cl2N6O/c1-15-8-22-23(9-16(15)2)33-25(32-22)19(17-6-4-3-5-7-17)12-29-26(35)24-20(27)10-18(11-21(24)28)34-13-30-31-14-34/h3-11,13-14,19H,12H2,1-2H3,(H,29,35)(H,32,33)
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n/an/a 3.64n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM50125978
PNG
(CHEMBL3627898 | US10189819, Example 77)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2cnc3[nH]c(C)cc3c2)c(Cl)c1
Show InChI InChI=1S/C26H21Cl2FN6O/c1-14-6-17-7-18(11-30-25(17)33-14)21(16-4-3-5-19(29)8-16)12-31-26(36)24-22(27)9-20(10-23(24)28)35-13-32-15(2)34-35/h3-11,13,21H,12H2,1-2H3,(H,30,33)(H,31,36)/t21-/m0/s1
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US Patent
n/an/a 3.70n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324224
PNG
(US10189819, Example 61)
Show SMILES CNC(=O)c1cccc(c1)[C@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1nc2cc(OC)c(Cl)cc2[nH]1
Show InChI InChI=1S/C28H24Cl3N7O3/c1-14-34-13-38(37-14)17-8-20(30)25(21(31)9-17)28(40)33-12-18(15-5-4-6-16(7-15)27(39)32-2)26-35-22-10-19(29)24(41-3)11-23(22)36-26/h4-11,13,18H,12H2,1-3H3,(H,32,39)(H,33,40)(H,35,36)/t18-/m0/s1
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Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324223
PNG
(US10189819, Example 60)
Show SMILES COc1cc2nc([nH]c2cc1Cl)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H21Cl3N6O4/c1-13-32-12-36(35-13)16-7-19(29)24(20(30)8-16)26(37)31-11-17(14-3-5-15(6-4-14)27(38)39)25-33-21-9-18(28)23(40-2)10-22(21)34-25/h3-10,12,17H,11H2,1-2H3,(H,31,37)(H,33,34)(H,38,39)/t17-/m0/s1
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n/an/a 4.79n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324186
PNG
(US10189819, Example 15)
Show SMILES Cc1nncn1-c1ccc(C(=O)NCC(c2nc3c(C)cc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1
Show InChI InChI=1S/C26H21Cl2FN6O/c1-14-8-17(27)10-23-24(14)33-25(32-23)21(16-4-3-5-18(29)9-16)12-30-26(36)20-7-6-19(11-22(20)28)35-13-31-34-15(35)2/h3-11,13,21H,12H2,1-2H3,(H,30,36)(H,32,33)
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n/an/a 4.90n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324228
PNG
(US10189819, Example 65)
Show SMILES CCOC(=O)c1ccc(cc1)[C@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1nc2cc(OC)c(Cl)cc2[nH]1
Show InChI InChI=1S/C29H25Cl3N6O4/c1-4-42-29(40)17-7-5-16(6-8-17)19(27-35-23-11-20(30)25(41-3)12-24(23)36-27)13-33-28(39)26-21(31)9-18(10-22(26)32)38-14-34-15(2)37-38/h5-12,14,19H,4,13H2,1-3H3,(H,33,39)(H,35,36)/t19-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324213
PNG
(US10189819, Example 50)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1cccc(F)c1
Show InChI InChI=1S/C26H22ClFN6O/c1-15-8-23-24(9-16(15)2)33-25(32-23)21(17-4-3-5-18(28)10-17)12-29-26(35)20-7-6-19(11-22(20)27)34-13-30-31-14-34/h3-11,13-14,21H,12H2,1-2H3,(H,29,35)(H,32,33)
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n/an/a 5.69n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324227
PNG
(US10189819, Example 64)
Show SMILES COC(=O)Cc1cccc(c1)C(CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1nc2cc(OC)c(Cl)cc2[nH]1
Show InChI InChI=1S/C29H25Cl3N6O4/c1-15-34-14-38(37-15)18-9-21(31)27(22(32)10-18)29(40)33-13-19(17-6-4-5-16(7-17)8-26(39)42-3)28-35-23-11-20(30)25(41-2)12-24(23)36-28/h4-7,9-12,14,19H,8,13H2,1-3H3,(H,33,40)(H,35,36)
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n/an/a 6.10n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324210
PNG
(US10189819, Example 47)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NCC(c2nc3c(C)cc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1
Show InChI InChI=1S/C26H20Cl3FN6O/c1-13-6-16(27)8-22-24(13)34-25(33-22)19(15-4-3-5-17(30)7-15)11-31-26(37)23-20(28)9-18(10-21(23)29)36-12-32-14(2)35-36/h3-10,12,19H,11H2,1-2H3,(H,31,37)(H,33,34)
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n/an/a 6.18n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324249
PNG
(US10189819, Example 103)
Show SMILES Cc1ncn(n1)-c1ccc(C(=O)NC[C@@H](c2cccc(F)c2)c2nc3c(F)ccc(C)c3c(=O)[nH]2)c(Cl)c1
Show InChI InChI=1S/C27H21ClF2N6O2/c1-14-6-9-22(30)24-23(14)27(38)34-25(33-24)20(16-4-3-5-17(29)10-16)12-31-26(37)19-8-7-18(11-21(19)28)36-13-32-15(2)35-36/h3-11,13,20H,12H2,1-2H3,(H,31,37)(H,33,34,38)/t20-/m0/s1
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n/an/a 6.35n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM50151405
PNG
(CHEMBL3775211 | US10189819, Example 79)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2cc(F)c3[nH]c(C)nc3c2)c(Cl)c1
Show InChI InChI=1S/C26H20Cl2F2N6O/c1-13-32-12-36(35-13)18-9-20(27)24(21(28)10-18)26(37)31-11-19(15-4-3-5-17(29)6-15)16-7-22(30)25-23(8-16)33-14(2)34-25/h3-10,12,19H,11H2,1-2H3,(H,31,37)(H,33,34)/t19-/m0/s1
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n/an/a 6.42n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324247
PNG
(US10189819, Example 101)
Show SMILES Cc1ccc(F)c2nc([nH]c(=O)c12)C(CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1
Show InChI InChI=1S/C26H20ClFN6O2/c1-15-7-10-21(28)23-22(15)26(36)33-24(32-23)19(16-5-3-2-4-6-16)12-29-25(35)18-9-8-17(11-20(18)27)34-13-30-31-14-34/h2-11,13-14,19H,12H2,1H3,(H,29,35)(H,32,33,36)
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n/an/a 6.68n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324179
PNG
(US10189819, Example 8)
Show SMILES Cc1ncn(n1)-c1cc(C)c(C(=O)NCC(c2nc3cc(C)c(C)cc3[nH]2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C28H27ClN6O/c1-16-11-24-25(12-17(16)2)33-27(32-24)22(20-8-6-5-7-9-20)14-30-28(36)26-18(3)10-21(13-23(26)29)35-15-31-19(4)34-35/h5-13,15,22H,14H2,1-4H3,(H,30,36)(H,32,33)
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n/an/a 6.99n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324253
PNG
(US10189819, Example 107)
Show SMILES Cc1ccc(F)c2nc([nH]c(=O)c12)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnc(CCO)c1)c1cccc(F)c1
Show InChI InChI=1S/C29H24ClF2N5O3/c1-16-5-8-24(32)26-25(16)29(40)36-27(35-26)22(17-3-2-4-18(31)11-17)13-33-28(39)21-7-6-20(12-23(21)30)37-14-19(9-10-38)34-15-37/h2-8,11-12,14-15,22,38H,9-10,13H2,1H3,(H,33,39)(H,35,36,40)/t22-/m0/s1
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n/an/a 7.30n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324182
PNG
(US10189819, Example 11)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(C)cc(cc1Cl)-n1cnnc1)c1ccccc1
Show InChI InChI=1S/C27H25ClN6O/c1-16-10-23-24(11-17(16)2)33-26(32-23)21(19-7-5-4-6-8-19)13-29-27(35)25-18(3)9-20(12-22(25)28)34-14-30-31-15-34/h4-12,14-15,21H,13H2,1-3H3,(H,29,35)(H,32,33)
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n/an/a 8.05n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324215
PNG
(US10189819, Example 52)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H22ClFN6O/c1-15-9-23-24(10-16(15)2)33-25(32-23)21(17-3-5-18(28)6-4-17)12-29-26(35)20-8-7-19(11-22(20)27)34-13-30-31-14-34/h3-11,13-14,21H,12H2,1-2H3,(H,29,35)(H,32,33)
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n/an/a 8.42n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324252
PNG
(US10189819, Example 106)
Show SMILES Cc1ccc(F)c2nc([nH]c(=O)c12)[C@@H](CNC(=O)c1ccc(cc1Cl)-c1ccnnc1)c1cccc(F)c1
Show InChI InChI=1S/C28H20ClF2N5O2/c1-15-5-8-23(31)25-24(15)28(38)36-26(35-25)21(17-3-2-4-19(30)11-17)14-32-27(37)20-7-6-16(12-22(20)29)18-9-10-33-34-13-18/h2-13,21H,14H2,1H3,(H,32,37)(H,35,36,38)/t21-/m0/s1
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n/an/a 8.5n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324220
PNG
(US10189819, Example 57)
Show SMILES COc1cc2nc([nH]c2cc1Cl)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cnc(nc1)N(C)C
Show InChI InChI=1S/C26H24Cl3N9O2/c1-13-33-12-38(36-13)15-5-18(28)23(19(29)6-15)25(39)30-11-16(14-9-31-26(32-10-14)37(2)3)24-34-20-7-17(27)22(40-4)8-21(20)35-24/h5-10,12,16H,11H2,1-4H3,(H,30,39)(H,34,35)/t16-/m0/s1
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n/an/a 8.76n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324256
PNG
(US10189819, Example 110)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccnc2)c2nc3c(F)ccc(C)c3c(=O)n2C)c(Cl)c1
Show InChI InChI=1S/C27H22Cl2FN7O2/c1-14-6-7-21(30)24-22(14)27(39)36(3)25(34-24)18(16-5-4-8-31-11-16)12-32-26(38)23-19(28)9-17(10-20(23)29)37-13-33-15(2)35-37/h4-11,13,18H,12H2,1-3H3,(H,32,38)/t18-/m0/s1
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n/an/a 8.90n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324254
PNG
(US10189819, Example 108)
Show SMILES Cc1ccc(F)c2nc([nH]c(=O)c12)[C@@H](CNC(=O)c1ccc(cc1Cl)-c1ccc(=O)n(C)c1)c1cccc(F)c1
Show InChI InChI=1S/C30H23ClF2N4O3/c1-16-6-10-24(33)27-26(16)30(40)36-28(35-27)22(18-4-3-5-20(32)12-18)14-34-29(39)21-9-7-17(13-23(21)31)19-8-11-25(38)37(2)15-19/h3-13,15,22H,14H2,1-2H3,(H,34,39)(H,35,36,40)/t22-/m0/s1
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n/an/a 9.20n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324257
PNG
(US10189819, Example 111)
Show SMILES Cc1ccc(F)c2nc([nH]c(=O)c12)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnnc1C(F)F)c1cccc(F)c1
Show InChI InChI=1S/C27H19ClF4N6O2/c1-13-5-8-20(30)22-21(13)27(40)36-24(35-22)18(14-3-2-4-15(29)9-14)11-33-26(39)17-7-6-16(10-19(17)28)38-12-34-37-25(38)23(31)32/h2-10,12,18,23H,11H2,1H3,(H,33,39)(H,35,36,40)/t18-/m0/s1
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n/an/a 9.60n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM50125974
PNG
(CHEMBL3627895 | US10189819, Example 46)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3ccc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1
Show InChI InChI=1S/C25H18Cl3FN6O/c1-13-31-12-35(34-13)17-9-19(27)23(20(28)10-17)25(36)30-11-18(14-3-2-4-16(29)7-14)24-32-21-6-5-15(26)8-22(21)33-24/h2-10,12,18H,11H2,1H3,(H,30,36)(H,32,33)/t18-/m0/s1
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n/an/a 9.78n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324204
PNG
(US10189819, Example 34)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(Cl)cc(cc1Cl)-c1cncc(CO)c1)c1ccccc1
Show InChI InChI=1S/C30H26Cl2N4O2/c1-17-8-26-27(9-18(17)2)36-29(35-26)23(20-6-4-3-5-7-20)15-34-30(38)28-24(31)11-21(12-25(28)32)22-10-19(16-37)13-33-14-22/h3-14,23,37H,15-16H2,1-2H3,(H,34,38)(H,35,36)
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n/an/a 10.3n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM50125981
PNG
(CHEMBL3627901 | US10189819, Example 113)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2ccc3c(C)ccc(F)c3n2)c(Cl)c1
Show InChI InChI=1S/C28H21Cl2F2N5O/c1-15-6-8-24(32)27-20(15)7-9-25(35-27)21(17-4-3-5-18(31)10-17)13-33-28(38)26-22(29)11-19(12-23(26)30)37-14-34-16(2)36-37/h3-12,14,21H,13H2,1-2H3,(H,33,38)/t21-/m0/s1
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n/an/a 10.4n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324248
PNG
(US10189819, Example 102)
Show SMILES Cc1ncn(n1)-c1ccc(C(=O)NC[C@@H](c2ccccc2)c2nc3c(F)ccc(C)c3c(=O)[nH]2)c(Cl)c1
Show InChI InChI=1S/C27H22ClFN6O2/c1-15-8-11-22(29)24-23(15)27(37)33-25(32-24)20(17-6-4-3-5-7-17)13-30-26(36)19-10-9-18(12-21(19)28)35-14-31-16(2)34-35/h3-12,14,20H,13H2,1-2H3,(H,30,36)(H,32,33,37)/t20-/m0/s1
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Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324180
PNG
(US10189819, Example 9)
Show SMILES COc1cc(cc(Cl)c1C(=O)NCC(c1nc2cc(C)c(C)cc2[nH]1)c1ccccc1)-n1cnnc1
Show InChI InChI=1S/C27H25ClN6O2/c1-16-9-22-23(10-17(16)2)33-26(32-22)20(18-7-5-4-6-8-18)13-29-27(35)25-21(28)11-19(12-24(25)36-3)34-14-30-31-15-34/h4-12,14-15,20H,13H2,1-3H3,(H,29,35)(H,32,33)
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n/an/a 14.8n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324181
PNG
(US10189819, Example 10)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(F)cc(cc1Cl)-n1cnnc1)c1ccccc1
Show InChI InChI=1S/C26H22ClFN6O/c1-15-8-22-23(9-16(15)2)33-25(32-22)19(17-6-4-3-5-7-17)12-29-26(35)24-20(27)10-18(11-21(24)28)34-13-30-31-14-34/h3-11,13-14,19H,12H2,1-2H3,(H,29,35)(H,32,33)
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n/an/a 15.2n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324219
PNG
(US10189819, Example 56)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1cccnc1
Show InChI InChI=1S/C25H22ClN7O/c1-15-8-22-23(9-16(15)2)32-24(31-22)20(17-4-3-7-27-11-17)12-28-25(34)19-6-5-18(10-21(19)26)33-13-29-30-14-33/h3-11,13-14,20H,12H2,1-2H3,(H,28,34)(H,31,32)
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n/an/a 15.3n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324246
PNG
(US10189819, Example 100)
Show SMILES Cc1cccc2nc([nH]c(=O)c12)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1
Show InChI InChI=1S/C26H21ClN6O2/c1-16-6-5-9-22-23(16)26(35)32-24(31-22)20(17-7-3-2-4-8-17)13-28-25(34)19-11-10-18(12-21(19)27)33-14-29-30-15-33/h2-12,14-15,20H,13H2,1H3,(H,28,34)(H,31,32,35)/t20-/m0/s1
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n/an/a 16.8n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324229
PNG
(US10189819, Example 66)
Show SMILES CCOC(=O)c1cccc(c1)[C@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1nc2cc(OC)c(Cl)cc2[nH]1
Show InChI InChI=1S/C29H25Cl3N6O4/c1-4-42-29(40)17-7-5-6-16(8-17)19(27-35-23-11-20(30)25(41-3)12-24(23)36-27)13-33-28(39)26-21(31)9-18(10-22(26)32)38-14-34-15(2)37-38/h5-12,14,19H,4,13H2,1-3H3,(H,33,39)(H,35,36)/t19-/m0/s1
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Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324237
PNG
(US10189819, Example 80)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2ccc3[nH]c(C)nc3n2)c(Cl)c1
Show InChI InChI=1S/C25H20Cl2FN7O/c1-13-30-12-35(34-13)17-9-19(26)23(20(27)10-17)25(36)29-11-18(15-4-3-5-16(28)8-15)21-6-7-22-24(33-21)32-14(2)31-22/h3-10,12,18H,11H2,1-2H3,(H,29,36)(H,31,32,33)/t18-/m0/s1
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n/an/a 16.9n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324187
PNG
(US10189819, Example 17)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(Cl)cc(cc1Cl)-c1cncnc1)c1ccccc1
Show InChI InChI=1S/C28H23Cl2N5O/c1-16-8-24-25(9-17(16)2)35-27(34-24)21(18-6-4-3-5-7-18)14-33-28(36)26-22(29)10-19(11-23(26)30)20-12-31-15-32-13-20/h3-13,15,21H,14H2,1-2H3,(H,33,36)(H,34,35)
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n/an/a 18.1n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324214
PNG
(US10189819, Example 51)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1F
Show InChI InChI=1S/C26H22ClFN6O/c1-15-9-23-24(10-16(15)2)33-25(32-23)20(18-5-3-4-6-22(18)28)12-29-26(35)19-8-7-17(11-21(19)27)34-13-30-31-14-34/h3-11,13-14,20H,12H2,1-2H3,(H,29,35)(H,32,33)
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Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324177
PNG
(US10189819, Example 6)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NCC(c2nc3cc(C)c(C)cc3[nH]2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C27H24Cl2N6O/c1-15-9-23-24(10-16(15)2)33-26(32-23)20(18-7-5-4-6-8-18)13-30-27(36)25-21(28)11-19(12-22(25)29)35-14-31-17(3)34-35/h4-12,14,20H,13H2,1-3H3,(H,30,36)(H,32,33)
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n/an/a 20.8n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324197
PNG
(US10189819, Example 27)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(Cl)cc(cc1Cl)-c1ccc2nncn2c1)c1ccccc1
Show InChI InChI=1S/C30H24Cl2N6O/c1-17-10-25-26(11-18(17)2)36-29(35-25)22(19-6-4-3-5-7-19)14-33-30(39)28-23(31)12-21(13-24(28)32)20-8-9-27-37-34-16-38(27)15-20/h3-13,15-16,22H,14H2,1-2H3,(H,33,39)(H,35,36)
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n/an/a 21n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324176
PNG
(US10189819, Example 5)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(Cl)cc(cc1C(F)(F)F)-n1cnnc1)c1ccccc1
Show InChI InChI=1S/C27H22ClF3N6O/c1-15-8-22-23(9-16(15)2)36-25(35-22)19(17-6-4-3-5-7-17)12-32-26(38)24-20(27(29,30)31)10-18(11-21(24)28)37-13-33-34-14-37/h3-11,13-14,19H,12H2,1-2H3,(H,32,38)(H,35,36)
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n/an/a 21.8n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324174
PNG
(US10189819, Example 3)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1ccc(cc1Cl)-n1cc(CCO)nn1)c1ccccc1
Show InChI InChI=1S/C28H27ClN6O2/c1-17-12-25-26(13-18(17)2)32-27(31-25)23(19-6-4-3-5-7-19)15-30-28(37)22-9-8-21(14-24(22)29)35-16-20(10-11-36)33-34-35/h3-9,12-14,16,23,36H,10-11,15H2,1-2H3,(H,30,37)(H,31,32)
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n/an/a 21.9n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324226
PNG
(US10189819, Example 63)
Show SMILES COc1cc2nc([nH]c2cc1Cl)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C29H26Cl3N7O3/c1-15-34-14-39(37-15)18-9-21(31)26(22(32)10-18)28(40)33-13-19(16-5-7-17(8-6-16)29(41)38(2)3)27-35-23-11-20(30)25(42-4)12-24(23)36-27/h5-12,14,19H,13H2,1-4H3,(H,33,40)(H,35,36)/t19-/m0/s1
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n/an/a 27.7n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324240
PNG
(US10189819, Example 87)
Show SMILES Cc1ccc2c(c[nH]c2c1)[C@H](CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1cccc(F)c1
Show InChI InChI=1S/C26H21ClFN5O/c1-16-5-7-20-23(13-29-25(20)9-16)22(17-3-2-4-18(28)10-17)12-30-26(34)21-8-6-19(11-24(21)27)33-14-31-32-15-33/h2-11,13-15,22,29H,12H2,1H3,(H,30,34)/t22-/m1/s1
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n/an/a 31.1n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324233
PNG
(US10189819, Example 73)
Show SMILES COc1cc2nc([nH]c2cc1Cl)C(CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)n1cc(nn1)C(C)(C)O
Show InChI InChI=1S/C25H24Cl3N9O3/c1-12-30-11-37(34-12)13-5-15(27)22(16(28)6-13)24(38)29-9-19(36-10-21(33-35-36)25(2,3)39)23-31-17-7-14(26)20(40-4)8-18(17)32-23/h5-8,10-11,19,39H,9H2,1-4H3,(H,29,38)(H,31,32)
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n/an/a 34.4n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324185
PNG
(US10189819, Example 14)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(Cl)cc(cc1OC(F)(F)F)-n1cnnc1)c1ccccc1
Show InChI InChI=1S/C27H22ClF3N6O2/c1-15-8-21-22(9-16(15)2)36-25(35-21)19(17-6-4-3-5-7-17)12-32-26(38)24-20(28)10-18(37-13-33-34-14-37)11-23(24)39-27(29,30)31/h3-11,13-14,19H,12H2,1-2H3,(H,32,38)(H,35,36)
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Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324205
PNG
(US10189819, Example 35)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(Cl)cc(cc1Cl)-c1ccc(CO)nc1)c1ccccc1
Show InChI InChI=1S/C30H26Cl2N4O2/c1-17-10-26-27(11-18(17)2)36-29(35-26)23(19-6-4-3-5-7-19)15-34-30(38)28-24(31)12-21(13-25(28)32)20-8-9-22(16-37)33-14-20/h3-14,23,37H,15-16H2,1-2H3,(H,34,38)(H,35,36)
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n/an/a 42.7n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324245
PNG
(US10189819, Example 99)
Show SMILES Clc1cc(ccc1C(=O)NC[C@@H](c1ccccc1)c1nc2c(Cl)ccc(Cl)c2c(=O)[nH]1)-n1cnnc1
Show InChI InChI=1S/C25H17Cl3N6O2/c26-18-8-9-19(27)22-21(18)25(36)33-23(32-22)17(14-4-2-1-3-5-14)11-29-24(35)16-7-6-15(10-20(16)28)34-12-30-31-13-34/h1-10,12-13,17H,11H2,(H,29,35)(H,32,33,36)/t17-/m0/s1
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n/an/a 43.1n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324192
PNG
(US10189819, Example 22)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(Cl)cc(cc1Cl)-c1cncc(c1)C(C)(C)O)c1ccccc1
Show InChI InChI=1S/C32H30Cl2N4O2/c1-18-10-27-28(11-19(18)2)38-30(37-27)24(20-8-6-5-7-9-20)17-36-31(39)29-25(33)13-21(14-26(29)34)22-12-23(16-35-15-22)32(3,4)40/h5-16,24,40H,17H2,1-4H3,(H,36,39)(H,37,38)
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n/an/a 44.7n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324212
PNG
(US10189819, Example 49)
Show SMILES COc1ccc2nc([nH]c2c1)C(CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cccc(F)c1
Show InChI InChI=1S/C26H21Cl2FN6O2/c1-14-31-13-35(34-14)17-9-20(27)24(21(28)10-17)26(36)30-12-19(15-4-3-5-16(29)8-15)25-32-22-7-6-18(37-2)11-23(22)33-25/h3-11,13,19H,12H2,1-2H3,(H,30,36)(H,32,33)
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n/an/a 49.1n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324260
PNG
(US10189819, Example 116)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NCC(c2cccc(F)c2)c2nc3cc(C)c(C)cc3[nH]c2=O)c(Cl)c1
Show InChI InChI=1S/C28H23Cl2FN6O2/c1-14-7-23-24(8-15(14)2)35-28(39)26(34-23)20(17-5-4-6-18(31)9-17)12-32-27(38)25-21(29)10-19(11-22(25)30)37-13-33-16(3)36-37/h4-11,13,20H,12H2,1-3H3,(H,32,38)(H,35,39)
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n/an/a 51.1n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324243
PNG
(US10189819, Example 97)
Show SMILES Clc1cc(ccc1C(=O)NC[C@@H](c1ccccc1)c1nc2cccc(Cl)c2c(=O)[nH]1)-n1cnnc1
Show InChI InChI=1S/C25H18Cl2N6O2/c26-19-7-4-8-21-22(19)25(35)32-23(31-21)18(15-5-2-1-3-6-15)12-28-24(34)17-10-9-16(11-20(17)27)33-13-29-30-14-33/h1-11,13-14,18H,12H2,(H,28,34)(H,31,32,35)/t18-/m0/s1
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n/an/a 51.5n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324259
PNG
(US10189819, Example 114)
Show SMILES COc1cc(nc2c(F)ccc(C)c12)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cccc(F)c1
Show InChI InChI=1S/C29H23Cl2F2N5O2/c1-15-7-8-23(33)28-26(15)25(40-3)12-24(36-28)20(17-5-4-6-18(32)9-17)13-34-29(39)27-21(30)10-19(11-22(27)31)38-14-35-16(2)37-38/h4-12,14,20H,13H2,1-3H3,(H,34,39)/t20-/m0/s1
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n/an/a 52.2n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324206
PNG
(US10189819, Example 36)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(Cl)cc(cc1Cl)-c1ccnc(CO)c1)c1ccccc1
Show InChI InChI=1S/C30H26Cl2N4O2/c1-17-10-26-27(11-18(17)2)36-29(35-26)23(19-6-4-3-5-7-19)15-34-30(38)28-24(31)13-21(14-25(28)32)20-8-9-33-22(12-20)16-37/h3-14,23,37H,15-16H2,1-2H3,(H,34,38)(H,35,36)
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n/an/a 52.5n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324207
PNG
(US10189819, Example 44)
Show SMILES Cc1ccc2nc([nH]c2c1)C(CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1
Show InChI InChI=1S/C25H21ClN6O/c1-16-7-10-22-23(11-16)31-24(30-22)20(17-5-3-2-4-6-17)13-27-25(33)19-9-8-18(12-21(19)26)32-14-28-29-15-32/h2-12,14-15,20H,13H2,1H3,(H,27,33)(H,30,31)
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n/an/a 53.5n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324175
PNG
(US10189819, Example 4)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NCC(c2nc3cc(C)c(C)cc3[nH]2)c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H24ClF3N6O/c1-15-9-23-24(10-16(15)2)36-26(35-23)20(18-7-5-4-6-8-18)13-33-27(39)25-21(28(30,31)32)11-19(12-22(25)29)38-14-34-17(3)37-38/h4-12,14,20H,13H2,1-3H3,(H,33,39)(H,35,36)
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n/an/a 63.1n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324198
PNG
(US10189819, Example 28)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(Cl)cc(cc1Cl)-c1ccn2ncnc2c1)c1ccccc1
Show InChI InChI=1S/C30H24Cl2N6O/c1-17-10-25-26(11-18(17)2)37-29(36-25)22(19-6-4-3-5-7-19)15-33-30(39)28-23(31)12-21(13-24(28)32)20-8-9-38-27(14-20)34-16-35-38/h3-14,16,22H,15H2,1-2H3,(H,33,39)(H,36,37)
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n/an/a 64.8n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324201
PNG
(US10189819, Example 31)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(Cl)cc(cc1Cl)-c1cnn(CCO)c1)c1ccccc1
Show InChI InChI=1S/C29H27Cl2N5O2/c1-17-10-25-26(11-18(17)2)35-28(34-25)22(19-6-4-3-5-7-19)15-32-29(38)27-23(30)12-20(13-24(27)31)21-14-33-36(16-21)8-9-37/h3-7,10-14,16,22,37H,8-9,15H2,1-2H3,(H,32,38)(H,34,35)
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n/an/a 65.3n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324184
PNG
(US10189819, Example 13)
Show SMILES COc1ncn(n1)-c1ccc(C(=O)NCC(c2nc3ccc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1
Show InChI InChI=1S/C25H19Cl2FN6O2/c1-36-25-30-13-34(33-25)17-6-7-18(20(27)11-17)24(35)29-12-19(14-3-2-4-16(28)9-14)23-31-21-8-5-15(26)10-22(21)32-23/h2-11,13,19H,12H2,1H3,(H,29,35)(H,31,32)
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n/an/a 65.8n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324232
PNG
(US10189819, Example 72)
Show SMILES COc1cc2nc([nH]c2cc1Cl)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)n1cc(CN(C)C)nn1
Show InChI InChI=1S/C25H25Cl3N10O2/c1-13-30-12-38(34-13)15-5-17(27)23(18(28)6-15)25(39)29-9-21(37-11-14(33-35-37)10-36(2)3)24-31-19-7-16(26)22(40-4)8-20(19)32-24/h5-8,11-12,21H,9-10H2,1-4H3,(H,29,39)(H,31,32)/t21-/m1/s1
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n/an/a 67.2n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324231
PNG
(US10189819, Example 68)
Show SMILES Cc1cc2nc(oc2cc1C)C(CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1cccc(F)c1
Show InChI InChI=1S/C26H21ClFN5O2/c1-15-8-23-24(9-16(15)2)35-26(32-23)21(17-4-3-5-18(28)10-17)12-29-25(34)20-7-6-19(11-22(20)27)33-13-30-31-14-33/h3-11,13-14,21H,12H2,1-2H3,(H,29,34)
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n/an/a 71.9n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324239
PNG
(US10189819, Example 82)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2cc(C)c3[nH]c(C)nc3c2)c(Cl)c1
Show InChI InChI=1S/C27H23Cl2FN6O/c1-14-7-18(9-24-26(14)34-16(3)33-24)21(17-5-4-6-19(30)8-17)12-31-27(37)25-22(28)10-20(11-23(25)29)36-13-32-15(2)35-36/h4-11,13,21H,12H2,1-3H3,(H,31,37)(H,33,34)/t21-/m0/s1
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n/an/a 75.2n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324183
PNG
(US10189819, Example 12)
Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnnn1)c1ccccc1
Show InChI InChI=1S/C25H22ClN7O/c1-15-10-22-23(11-16(15)2)30-24(29-22)20(17-6-4-3-5-7-17)13-27-25(34)19-9-8-18(12-21(19)26)33-14-28-31-32-33/h3-12,14,20H,13H2,1-2H3,(H,27,34)(H,29,30)/t20-/m0/s1
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n/an/a 78.3n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324238
PNG
(US10189819, Example 81)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NCC(c2cccc(F)c2)c2cc3nc(C)[nH]c3cn2)c(Cl)c1
Show InChI InChI=1S/C25H20Cl2FN7O/c1-13-31-12-35(34-13)17-7-19(26)24(20(27)8-17)25(36)30-10-18(15-4-3-5-16(28)6-15)21-9-22-23(11-29-21)33-14(2)32-22/h3-9,11-12,18H,10H2,1-2H3,(H,30,36)(H,32,33)
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n/an/a 126n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324194
PNG
(US10189819, Example 24)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(Cl)cc(cc1Cl)-c1cnc2C(=O)NCc2c1)c1ccccc1
Show InChI InChI=1S/C31H25Cl2N5O2/c1-16-8-25-26(9-17(16)2)38-29(37-25)22(18-6-4-3-5-7-18)15-36-30(39)27-23(32)11-19(12-24(27)33)20-10-21-14-35-31(40)28(21)34-13-20/h3-13,22H,14-15H2,1-2H3,(H,35,40)(H,36,39)(H,37,38)
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n/an/a 141n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324244
PNG
(US10189819, Example 98)
Show SMILES Clc1cc(ccc1C(=O)NC[C@@H](c1ccccc1)c1nc2c(Cl)cccc2c(=O)[nH]1)-n1cnnc1
Show InChI InChI=1S/C25H18Cl2N6O2/c26-20-8-4-7-18-22(20)31-23(32-25(18)35)19(15-5-2-1-3-6-15)12-28-24(34)17-10-9-16(11-21(17)27)33-13-29-30-14-33/h1-11,13-14,19H,12H2,(H,28,34)(H,31,32,35)/t19-/m0/s1
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n/an/a 178n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324242
PNG
(US10189819, Example 96)
Show SMILES Clc1ccc2nc([nH]c(=O)c2c1)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1
Show InChI InChI=1S/C25H18Cl2N6O2/c26-16-6-9-22-19(10-16)25(35)32-23(31-22)20(15-4-2-1-3-5-15)12-28-24(34)18-8-7-17(11-21(18)27)33-13-29-30-14-33/h1-11,13-14,20H,12H2,(H,28,34)(H,31,32,35)/t20-/m0/s1
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n/an/a 188n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324200
PNG
(US10189819, Example 30)
Show SMILES CCOC(=O)c1cc(ccn1)-c1ccc(C(=O)NCC(c2nc3cc(C)c(C)cc3[nH]2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C32H29ClN4O3/c1-4-40-32(39)29-17-23(12-13-34-29)22-10-11-24(26(33)16-22)31(38)35-18-25(21-8-6-5-7-9-21)30-36-27-14-19(2)20(3)15-28(27)37-30/h5-17,25H,4,18H2,1-3H3,(H,35,38)(H,36,37)
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n/an/a 247n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324190
PNG
(US10189819, Example 20)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(Cl)cc(cc1Cl)-c1cnc2NC(=O)CCc2c1)c1ccccc1
Show InChI InChI=1S/C32H27Cl2N5O2/c1-17-10-26-27(11-18(17)2)38-31(37-26)23(19-6-4-3-5-7-19)16-36-32(41)29-24(33)13-21(14-25(29)34)22-12-20-8-9-28(40)39-30(20)35-15-22/h3-7,10-15,23H,8-9,16H2,1-2H3,(H,36,41)(H,37,38)(H,35,39,40)
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n/an/a 276n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324196
PNG
(US10189819, Example 26)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(Cl)cc(cc1Cl)-c1ccc(nc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C30H24Cl2N4O3/c1-16-10-25-26(11-17(16)2)36-28(35-25)21(18-6-4-3-5-7-18)15-34-29(37)27-22(31)12-20(13-23(27)32)19-8-9-24(30(38)39)33-14-19/h3-14,21H,15H2,1-2H3,(H,34,37)(H,35,36)(H,38,39)
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Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324189
PNG
(US10189819, Example 19)
Show SMILES CCOC(=O)c1cc(ccn1)-c1cc(Cl)c(C(=O)NCC(c2nc3cc(C)c(C)cc3[nH]2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C32H28Cl2N4O3/c1-4-41-32(40)28-16-21(10-11-35-28)22-14-24(33)29(25(34)15-22)31(39)36-17-23(20-8-6-5-7-9-20)30-37-26-12-18(2)19(3)13-27(26)38-30/h5-16,23H,4,17H2,1-3H3,(H,36,39)(H,37,38)
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Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324191
PNG
(US10189819, Example 21)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(Cl)cc(cc1Cl)-c1cnc(OCCF)nc1)c1ccccc1
Show InChI InChI=1S/C30H26Cl2FN5O2/c1-17-10-25-26(11-18(17)2)38-28(37-25)22(19-6-4-3-5-7-19)16-34-29(39)27-23(31)12-20(13-24(27)32)21-14-35-30(36-15-21)40-9-8-33/h3-7,10-15,22H,8-9,16H2,1-2H3,(H,34,39)(H,37,38)
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Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324188
PNG
(US10189819, Example 18)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(Cl)cc(cc1Cl)-c1cnn(CS(C)(=O)=O)c1)c1ccccc1
Show InChI InChI=1S/C29H27Cl2N5O3S/c1-17-9-25-26(10-18(17)2)35-28(34-25)22(19-7-5-4-6-8-19)14-32-29(37)27-23(30)11-20(12-24(27)31)21-13-33-36(15-21)16-40(3,38)39/h4-13,15,22H,14,16H2,1-3H3,(H,32,37)(H,34,35)
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Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324218
PNG
(US10189819, Example 55)
Show SMILES Cc1ncn(n1)-c1ccc(C(=O)NCC(c2nc3cc(C)c(C)cc3[nH]2)c2ccc(nc2)C(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C27H23ClF3N7O/c1-14-8-22-23(9-15(14)2)36-25(35-22)20(17-4-7-24(32-11-17)27(29,30)31)12-33-26(39)19-6-5-18(10-21(19)28)38-13-34-16(3)37-38/h4-11,13,20H,12H2,1-3H3,(H,33,39)(H,35,36)
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Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324195
PNG
(US10189819, Example 25)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(Cl)cc(cc1Cl)-c1cnc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C33H26Cl2N4O/c1-19-12-29-30(13-20(19)2)39-32(38-29)25(21-8-4-3-5-9-21)18-37-33(40)31-26(34)15-23(16-27(31)35)24-14-22-10-6-7-11-28(22)36-17-24/h3-17,25H,18H2,1-2H3,(H,37,40)(H,38,39)
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Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324202
PNG
(US10189819, Example 32)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(Cl)cc(cc1Cl)-c1cn[nH]c1)c1ccccc1
Show InChI InChI=1S/C27H23Cl2N5O/c1-15-8-23-24(9-16(15)2)34-26(33-23)20(17-6-4-3-5-7-17)14-30-27(35)25-21(28)10-18(11-22(25)29)19-12-31-32-13-19/h3-13,20H,14H2,1-2H3,(H,30,35)(H,31,32)(H,33,34)
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Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324203
PNG
(US10189819, Example 33)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1ccc(cc1Cl)-c1ccnc(c1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C30H25ClN4O3/c1-17-12-25-26(13-18(17)2)35-28(34-25)23(19-6-4-3-5-7-19)16-33-29(36)22-9-8-20(14-24(22)31)21-10-11-32-27(15-21)30(37)38/h3-15,23H,16H2,1-2H3,(H,33,36)(H,34,35)(H,37,38)
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Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324193
PNG
(US10189819, Example 23)
Show SMILES COC(=O)c1ccc(cn1)-c1cc(Cl)c(C(=O)NCC(c2nc3cc(C)c(C)cc3[nH]2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C31H26Cl2N4O3/c1-17-11-26-27(12-18(17)2)37-29(36-26)22(19-7-5-4-6-8-19)16-35-30(38)28-23(32)13-21(14-24(28)33)20-9-10-25(34-15-20)31(39)40-3/h4-15,22H,16H2,1-3H3,(H,35,38)(H,36,37)
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Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324208
PNG
(US10189819, Example 45)
Show SMILES Cc1cccc2[nH]c(nc12)C(CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1
Show InChI InChI=1S/C25H21ClN6O/c1-16-6-5-9-22-23(16)31-24(30-22)20(17-7-3-2-4-8-17)13-27-25(33)19-11-10-18(12-21(19)26)32-14-28-29-15-32/h2-12,14-15,20H,13H2,1H3,(H,27,33)(H,30,31)
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Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324199
PNG
(US10189819, Example 29)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(Cl)cc(cc1Cl)-c1cnc(nc1)C1CC1)c1ccccc1
Show InChI InChI=1S/C31H27Cl2N5O/c1-17-10-26-27(11-18(17)2)38-30(37-26)23(19-6-4-3-5-7-19)16-36-31(39)28-24(32)12-21(13-25(28)33)22-14-34-29(35-15-22)20-8-9-20/h3-7,10-15,20,23H,8-9,16H2,1-2H3,(H,36,39)(H,37,38)
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Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (human))
BDBM324241
PNG
(US10189819, Example 95)
Show SMILES Clc1ccc2c(c1)nc([nH]c2=O)C(CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1
Show InChI InChI=1S/C25H18Cl2N6O2/c26-16-6-8-19-22(10-16)31-23(32-25(19)35)20(15-4-2-1-3-5-15)12-28-24(34)18-9-7-17(11-21(18)27)33-13-29-30-14-33/h1-11,13-14,20H,12H2,(H,28,34)(H,31,32,35)
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Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent


Assay Description
Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate a...


US Patent US10189819 (2019)

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