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Patent code US10487086

Compile Data Set for Download or QSAR
Found 77 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 XI


(Homo sapiens (Human))
BDBM142866
PNG
(US10487086, Example 121 | US8940720, 121 | US98029...)
Show SMILES Clc1[nH]c2nc1-c1ccccc1NC(=O)OC\C=C\C[C@@H]2NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C25H20Cl2N8O3/c26-16-9-10-20(35-14-28-33-34-35)15(13-16)8-11-21(36)29-19-7-3-4-12-38-25(37)30-18-6-2-1-5-17(18)22-23(27)32-24(19)31-22/h1-6,8-11,13-14,19H,7,12H2,(H,29,36)(H,30,37)(H,31,32)/b4-3+,11-8+/t19-/s2
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142873
PNG
(US10487086, Example I-77 | US8940720, I-77)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCC[C@H](CO)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C28H30ClN9O4/c1-42-28(41)33-19-8-9-21-23(13-19)32-20(15-39)4-2-3-5-22(27-30-14-24(21)35-27)34-26(40)11-6-17-12-18(29)7-10-25(17)38-16-31-36-37-38/h6-14,16,20,22,32,39H,2-5,15H2,1H3,(H,30,35)(H,33,41)(H,34,40)/b11-6+/t20-,22+/s2
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM420091
PNG
(US10487086, Example I-124)
Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@H]2CCCCCNc3cc(NC(=O)OC[C@@H]4CCCO4)ccc3-c3nc2[nH]c3[*])c1)-n1cnnn1
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142917
PNG
(US10487086, Example I-115 | US8940720, I-115 | US9...)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C#N)[C@H](CCCCCNc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C28H27ClN10O3/c1-42-28(41)33-19-8-9-20-22(14-19)31-12-4-2-3-5-21(27-35-23(15-30)26(20)36-27)34-25(40)11-6-17-13-18(29)7-10-24(17)39-16-32-37-38-39/h6-11,13-14,16,21,31H,2-5,12H2,1H3,(H,33,41)(H,34,40)(H,35,36)/b11-6+/t21-/s2
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142906
PNG
(US10487086, Example I-59 | US8940720, I-59)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCCC(C)C(=O)Nc2c1)NC(=O)c1c(F)cc2n(C)ccc2c1F
Show InChI InChI=1/C28H27ClF2N6O4/c1-13-5-4-6-18(33-27(39)21-17(30)12-20-16(22(21)31)9-10-37(20)2)25-35-23(24(29)36-25)15-8-7-14(32-28(40)41-3)11-19(15)34-26(13)38/h7-13,18H,4-6H2,1-3H3,(H,32,40)(H,33,39)(H,34,38)(H,35,36)/t13?,18-/s2
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142897
PNG
(US10487086, Example I-4 | US8940720, I-4)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1/C25H27N7O4/c1-36-25(35)29-16-10-11-17-19(12-16)30-21(33)5-3-2-4-18(23-28-13-20(17)31-23)32-24(34)15-8-6-14(7-9-15)22(26)27/h6-13,18H,2-5H2,1H3,(H3,26,27)(H,28,31)(H,29,35)(H,30,33)(H,32,34)/t18-/s2
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM420095
PNG
(US10487086, Example I-151)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1/C29H27N5O4/c1-38-29(37)31-21-13-14-22-24(16-21)32-26(35)10-4-2-3-9-23(27-30-17-25(22)33-27)34-28(36)20-12-11-18-7-5-6-8-19(18)15-20/h2-3,5-8,11-17,23H,4,9-10H2,1H3,(H,30,33)(H,31,37)(H,32,35)(H,34,36)/b3-2+/t23-/s2
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142880
PNG
(US10487086, Example I-227 | US8940720, I-227 | US9...)
Show SMILES Fc1ccc2NC(=O)CC\C=C\C[C@H](NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3nc(c(Cl)[nH]3)-c2c1
Show InChI InChI=1/C26H21Cl2FN8O2/c27-16-7-10-21(37-14-30-35-36-37)15(12-16)6-11-23(39)32-20-4-2-1-3-5-22(38)31-19-9-8-17(29)13-18(19)24-25(28)34-26(20)33-24/h1-2,6-14,20H,3-5H2,(H,31,38)(H,32,39)(H,33,34)/b2-1+,11-6+/t20-/s2
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142885
PNG
(US10487086, Example I-278 | US8940720, I-278 | US9...)
Show SMILES COCCOC(=O)Nc1ccc2-c3nc([nH]c3C#N)[C@H](CCCC[C@@H](Nc2c1)C(=O)OC)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C32H33ClN10O6/c1-47-13-14-49-32(46)36-21-9-10-22-25(16-21)37-24(31(45)48-2)6-4-3-5-23(30-39-26(17-34)29(22)40-30)38-28(44)12-7-19-15-20(33)8-11-27(19)43-18-35-41-42-43/h7-12,15-16,18,23-24,37H,3-6,13-14H2,1-2H3,(H,36,46)(H,38,44)(H,39,40)/b12-7+/t23-,24+/s2
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142865
PNG
(US10487086, Example 93 | US8940720, 93 | US9802939...)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CC\C=C\CC(NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3cccc-2c3)c1
Show InChI InChI=1/C31H28ClN7O4/c1-43-31(42)34-24-12-13-25-20-6-5-7-21(16-20)26(8-3-2-4-9-29(40)36-27(25)18-24)35-30(41)15-10-22-17-23(32)11-14-28(22)39-19-33-37-38-39/h2-3,5-7,10-19,26H,4,8-9H2,1H3,(H,34,42)(H,35,41)(H,36,40)/b3-2+,15-10+
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142898
PNG
(US10487086, Example I-5 | US8940720, I-5)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1ccnn1
Show InChI InChI=1/C28H27ClN8O4/c1-41-28(40)32-19-8-9-20-22(15-19)34-25(38)5-3-2-4-21(27-30-16-23(20)35-27)33-26(39)11-6-17-14-18(29)7-10-24(17)37-13-12-31-36-37/h6-16,21H,2-5H2,1H3,(H,30,35)(H,32,40)(H,33,39)(H,34,38)/b11-6+/t21-/s2
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142930
PNG
(US10487086, Example II-35 | US8940720, II-35)
Show SMILES COC(=O)Nc1ccc-2c(N[C@H](CCCC[C@H](NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3cc-2ccn3)C(=O)N2CCN(C)CC2)c1
Show InChI InChI=1/C35H39ClN10O4/c1-44-15-17-45(18-16-44)34(48)29-6-4-3-5-28(41-33(47)12-7-24-19-25(36)8-11-32(24)46-22-38-42-43-46)31-20-23(13-14-37-31)27-10-9-26(21-30(27)40-29)39-35(49)50-2/h7-14,19-22,28-29,40H,3-6,15-18H2,1-2H3,(H,39,49)(H,41,47)/b12-7+/t28-,29+/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142864
PNG
(US10487086, Example 90 | US8940720, 90 | US9802939...)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CC\C=C\C[C@H](NC(=O)[C@H]3CC[C@H](CN)CC3)c3cc-2ccn3)c1
Show InChI InChI=1/C28H35N5O4/c1-37-28(36)31-21-11-12-22-20-13-14-30-25(15-20)23(5-3-2-4-6-26(34)32-24(22)16-21)33-27(35)19-9-7-18(17-29)8-10-19/h2-3,11-16,18-19,23H,4-10,17,29H2,1H3,(H,31,36)(H,32,34)(H,33,35)/b3-2+/t18-,19-,23-/s2
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142895
PNG
(US10487086, Example II-62 | US8940720, II-62)
Show SMILES CCOC(=O)C1CCCCC(NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2cc(cc(=O)[nH]2)-c2ccc(NC(=O)OC)cc2N1
Show InChI InChI=1/C32H33ClN8O6/c1-3-47-31(44)25-7-5-4-6-24(37-29(42)13-8-19-14-21(33)9-12-28(19)41-18-34-39-40-41)27-15-20(16-30(43)38-27)23-11-10-22(17-26(23)36-25)35-32(45)46-2/h8-18,24-25,36H,3-7H2,1-2H3,(H,35,45)(H,37,42)(H,38,43)/b13-8+
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142910
PNG
(US10487086, Example I-80 | US8940720, I-80)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCC[C@@H](Nc2c1)C(=O)N1CCCC1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C32H35ClN10O4/c1-47-32(46)36-22-10-11-23-26(17-22)37-25(31(45)42-14-4-5-15-42)7-3-2-6-24(30-34-18-27(23)39-30)38-29(44)13-8-20-16-21(33)9-12-28(20)43-19-35-40-41-43/h8-13,16-19,24-25,37H,2-7,14-15H2,1H3,(H,34,39)(H,36,46)(H,38,44)/b13-8+/t24-,25+/s2
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142876
PNG
(US10487086, Example I-134 | US8940720, I-134 | US9...)
Show SMILES COC(=O)Nc1ccc2-c3cnc(o3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C27H25ClN8O5/c1-40-27(39)31-18-8-9-19-21(13-18)33-24(37)5-3-2-4-20(26-29-14-23(19)41-26)32-25(38)11-6-16-12-17(28)7-10-22(16)36-15-30-34-35-36/h6-15,20H,2-5H2,1H3,(H,31,39)(H,32,38)(H,33,37)/b11-6+/t20-/s2
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142890
PNG
(US10487086, Example II-3 | US8940720, II-3 | US980...)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CC\C=C\C[C@H](NC(=O)c3ccc(cc3)C(N)=N)c3cc-2ccn3)c1
Show InChI InChI=1/C28H28N6O4/c1-38-28(37)32-20-11-12-21-19-13-14-31-24(15-19)22(5-3-2-4-6-25(35)33-23(21)16-20)34-27(36)18-9-7-17(8-10-18)26(29)30/h2-3,7-16,22H,4-6H2,1H3,(H3,29,30)(H,32,37)(H,33,35)(H,34,36)/b3-2+/t22-/s2
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM47108
PNG
(US10487086, Example 10 | US8828983, 10 | US8940720...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C27H26ClN9O4/c1-41-27(40)31-18-8-9-19-21(13-18)33-24(38)5-3-2-4-20(26-29-14-22(19)34-26)32-25(39)11-6-16-12-17(28)7-10-23(16)37-15-30-35-36-37/h6-15,20H,2-5H2,1H3,(H,29,34)(H,31,40)(H,32,39)(H,33,38)/b11-6+/t20-/s2
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor XI


(Homo sapiens (Human))
BDBM420067
PNG
(US10487086, Example I-21)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)c1c(F)cc2n(C)cnc2c1F
Show InChI InChI=1/C26H25F2N7O4/c1-35-12-30-23-19(35)10-15(27)21(22(23)28)25(37)34-16-5-3-4-6-20(36)32-17-9-13(31-26(38)39-2)7-8-14(17)18-11-29-24(16)33-18/h7-12,16H,3-6H2,1-2H3,(H,29,33)(H,31,38)(H,32,36)(H,34,37)/t16-/s2
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142924
PNG
(US10487086, Example I-251 | US8940720, I-251 | US9...)
Show SMILES CCOC(=O)[C@H]1CCCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2nc(c([nH]2)C#N)-c2ccc(NC(=O)OC)cc2N1
Show InChI InChI=1/C31H31ClN10O5/c1-3-47-30(44)23-7-5-4-6-22(37-27(43)13-8-18-14-19(32)9-12-26(18)42-17-34-40-41-42)29-38-25(16-33)28(39-29)21-11-10-20(15-24(21)36-23)35-31(45)46-2/h8-15,17,22-23,36H,3-7H2,1-2H3,(H,35,45)(H,37,43)(H,38,39)/b13-8+/t22-,23+/s2
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142889
PNG
(US10487086, Example I-311 | US8940720, I-311)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1c(F)c(Cl)ccc1C(F)(F)F
Show InChI InChI=1/C28H23Cl2F4N5O4/c1-43-27(42)35-14-7-8-16-20(13-14)37-21(40)6-4-2-3-5-19(26-38-24(16)25(30)39-26)36-22(41)12-9-15-17(28(32,33)34)10-11-18(29)23(15)31/h2-3,7-13,19H,4-6H2,1H3,(H,35,42)(H,36,41)(H,37,40)(H,38,39)/b3-2+,12-9+/t19-/s2
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM420120
PNG
(US10487086, Example II-13)
Show SMILES COC(=O)Nc1ccc-2c(NC(CCCC[C@H](NC(=O)[C@H]3CC[C@H](CN)CC3)c3cc-2ccn3)C(F)(F)F)c1
Show InChI InChI=1S/C28H36F3N5O3/c1-39-27(38)34-20-10-11-21-19-12-13-33-24(14-19)22(36-26(37)18-8-6-17(16-32)7-9-18)4-2-3-5-25(28(29,30)31)35-23(21)15-20/h10-15,17-18,22,25,35H,2-9,16,32H2,1H3,(H,34,38)(H,36,37)/t17-,18-,22-,25?/m0/s1
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142896
PNG
(US10487086, Example 61 | US8940720, 61 | US9802939...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC(C)CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C29H30ClN9O4/c1-17-3-9-22(34-27(41)12-5-18-13-19(30)6-10-25(18)39-16-32-37-38-39)28-31-15-24(36-28)21-8-7-20(33-29(42)43-2)14-23(21)35-26(40)11-4-17/h5-8,10,12-17,22H,3-4,9,11H2,1-2H3,(H,31,36)(H,33,42)(H,34,41)(H,35,40)/b12-5+/t17?,22-/s2
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142860
PNG
(US10487086, Example 11 | US8940720, 11 | US9802939...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCCNc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C27H28ClN9O3/c1-40-27(39)32-19-8-9-20-22(14-19)29-12-4-2-3-5-21(26-30-15-23(20)34-26)33-25(38)11-6-17-13-18(28)7-10-24(17)37-16-31-35-36-37/h6-11,13-16,21,29H,2-5,12H2,1H3,(H,30,34)(H,32,39)(H,33,38)/b11-6+/t21-/s2
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6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM420069
PNG
(US10487086, Example I-57)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCCC(C)C(=O)Nc2c1)NC(=O)c1c(F)cc2ncn(C)c2c1F
Show InChI InChI=1/C27H26ClF2N7O4/c1-12-5-4-6-16(33-26(39)19-15(29)10-18-22(20(19)30)37(2)11-31-18)24-35-21(23(28)36-24)14-8-7-13(32-27(40)41-3)9-17(14)34-25(12)38/h7-12,16H,4-6H2,1-3H3,(H,32,40)(H,33,39)(H,34,38)(H,35,36)/t12?,16-/s2
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6.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142888
PNG
(US10487086, Example I-309 | US8940720, I-309)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cccc(Cl)c1
Show InChI InChI=1/C27H25Cl2N5O4/c1-38-27(37)30-18-11-12-19-21(15-18)32-22(35)9-4-2-3-8-20(26-33-24(19)25(29)34-26)31-23(36)13-10-16-6-5-7-17(28)14-16/h2-3,5-7,10-15,20H,4,8-9H2,1H3,(H,30,37)(H,31,36)(H,32,35)(H,33,34)/b3-2+,13-10+/t20-/s2
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142883
PNG
(US10487086, Example I-268 | US8940720, I-268)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C#N)[C@H](CCCCCNc2c1)NC(=O)\C=C\c1cc(C)ccc1-n1cnnn1
Show InChI InChI=1/C29H30N10O3/c1-18-7-11-25(39-17-32-37-38-39)19(14-18)8-12-26(40)34-22-6-4-3-5-13-31-23-15-20(33-29(41)42-2)9-10-21(23)27-24(16-30)35-28(22)36-27/h7-12,14-15,17,22,31H,3-6,13H2,1-2H3,(H,33,41)(H,34,40)(H,35,36)/b12-8+/t22-/s2
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142887
PNG
(US10487086, Example I-299 | US8940720, I-299)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C(=O)N(C)C)[C@H](CCCCCNc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C30H33ClN10O4/c1-40(2)29(43)27-26-21-11-10-20(34-30(44)45-3)16-23(21)32-14-6-4-5-7-22(28(36-26)37-27)35-25(42)13-8-18-15-19(31)9-12-24(18)41-17-33-38-39-41/h8-13,15-17,22,32H,4-7,14H2,1-3H3,(H,34,44)(H,35,42)(H,36,37)/b13-8+/t22-/s2
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19n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142870
PNG
(US10487086, Example 138 | US8940720, 138 | US98029...)
Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@H]2CCCCC(=O)Nc3cnccc3-c3ccnc2c3)c1)-n1cnnn1
Show InChI InChI=1/C26H23ClN8O2/c27-19-6-7-24(35-16-30-33-34-35)18(13-19)5-8-26(37)31-21-3-1-2-4-25(36)32-23-15-28-11-10-20(23)17-9-12-29-22(21)14-17/h5-16,21H,1-4H2,(H,31,37)(H,32,36)/b8-5+/t21-/s2
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20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM420096
PNG
(US10487086, Example I-152)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)c1ccc2[C@H](N)CCCc2c1
Show InChI InChI=1/C29H32N6O4/c1-39-29(38)32-19-11-13-21-24(15-19)33-26(36)9-4-2-3-8-23(27-31-16-25(21)34-27)35-28(37)18-10-12-20-17(14-18)6-5-7-22(20)30/h2-3,10-16,22-23H,4-9,30H2,1H3,(H,31,34)(H,32,38)(H,33,36)(H,35,37)/b3-2+/t22-,23+/s2
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21n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142894
PNG
(US10487086, Example II-58 | US8940720, II-58 | US9...)
Show SMILES COC(=O)Nc1ccc-2c(N[C@H](CCCC[C@H](NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3cncc-2c3)C(=O)NCc2ccccn2)c1
Show InChI InChI=1/C36H35ClN10O4/c1-51-36(50)42-27-11-12-29-24-16-25(20-38-19-24)30(44-34(48)14-9-23-17-26(37)10-13-33(23)47-22-41-45-46-47)7-2-3-8-31(43-32(29)18-27)35(49)40-21-28-6-4-5-15-39-28/h4-6,9-20,22,30-31,43H,2-3,7-8,21H2,1H3,(H,40,49)(H,42,50)(H,44,48)/b14-9+/t30-,31+/s2
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21n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142892
PNG
(US10487086, Example II-10 | US8940720, II-10 | US9...)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CCCCC(NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3cc-2nc(C)n3)c1
Show InChI InChI=1/C29H28ClN9O4/c1-17-32-24-15-25(33-17)22(35-28(41)12-7-18-13-19(30)8-11-26(18)39-16-31-37-38-39)5-3-4-6-27(40)36-23-14-20(9-10-21(23)24)34-29(42)43-2/h7-16,22H,3-6H2,1-2H3,(H,34,42)(H,35,41)(H,36,40)/b12-7+
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23n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142874
PNG
(US10487086, Example I-106 | US8940720, I-106)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC=CC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C27H24ClN9O4/c1-41-27(40)31-18-8-9-19-21(13-18)33-24(38)5-3-2-4-20(26-29-14-22(19)34-26)32-25(39)11-6-16-12-17(28)7-10-23(16)37-15-30-35-36-37/h3,5-15,20H,2,4H2,1H3,(H,29,34)(H,31,40)(H,32,39)(H,33,38)/b5-3-,11-6+/t20-/s2
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24n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352283
PNG
((E)-3-(5-Chloro-2-tetrazol-1-yl-phenyl)-N—((S...)
Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@H]2CC=CCCC(=O)Nc3ccccc3-c3nnc2o3)c1)-n1cnnn1
Show InChI InChI=1/C25H21ClN8O3/c26-17-11-12-21(34-15-27-32-33-34)16(14-17)10-13-23(36)29-20-8-2-1-3-9-22(35)28-19-7-5-4-6-18(19)24-30-31-25(20)37-24/h1-2,4-7,10-15,20H,3,8-9H2,(H,28,35)(H,29,36)/b2-1+,13-10+/t20-/s2
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25n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142875
PNG
(US10487086, Example I-107 | US8940720, I-107 | US9...)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3F)[C@H](CCCC\C=N\c2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C27H25ClFN9O3/c1-41-27(40)32-18-8-9-19-21(14-18)30-12-4-2-3-5-20(26-34-24(19)25(29)35-26)33-23(39)11-6-16-13-17(28)7-10-22(16)38-15-31-36-37-38/h6-15,20H,2-5H2,1H3,(H,32,40)(H,33,39)(H,34,35)/b11-6+,30-12+/t20-/s2
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29n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142858
PNG
(US10487086, Example 6 | US8940720, 6 | US9802939, ...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCCCc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C28H29ClN8O3/c1-40-28(39)32-21-10-11-22-18(15-21)6-4-2-3-5-7-23(27-30-16-24(22)34-27)33-26(38)13-8-19-14-20(29)9-12-25(19)37-17-31-35-36-37/h8-17,23H,2-7H2,1H3,(H,30,34)(H,32,39)(H,33,38)/b13-8+/t23-/s2
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34n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142861
PNG
(US10487086, Example 19 | US8940720, 19 | US9802939...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C/CS(=O)(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C26H24ClN9O5S/c1-41-26(38)30-18-7-8-19-21(13-18)33-42(39,40)11-3-2-4-20(25-28-14-22(19)32-25)31-24(37)10-5-16-12-17(27)6-9-23(16)36-15-29-34-35-36/h2-3,5-10,12-15,20,33H,4,11H2,1H3,(H,28,32)(H,30,38)(H,31,37)/b3-2-,10-5+/t20-/s2
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96n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142886
PNG
(US10487086, Example I-284 | US8940720, I-284)
Show SMILES COC(=O)c1ccc2NC(=O)CC\C=C\C[C@H](NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3nc(c[nH]3)-c2c1
Show InChI InChI=1/C28H25ClN8O4/c1-41-28(40)18-7-10-21-20(14-18)23-15-30-27(34-23)22(5-3-2-4-6-25(38)32-21)33-26(39)12-8-17-13-19(29)9-11-24(17)37-16-31-35-36-37/h2-3,7-16,22H,4-6H2,1H3,(H,30,34)(H,32,38)(H,33,39)/b3-2+,12-8+/t22-/s2
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102n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142891
PNG
(US10487086, Example II-4 | US8940720, II-4 | US980...)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CCCC[C@H](NC(=O)c3c(F)cc(C)cc3F)c3cc-2ccn3)c1
Show InChI InChI=1/C27H26F2N4O4/c1-15-11-19(28)25(20(29)12-15)26(35)33-21-5-3-4-6-24(34)32-22-14-17(31-27(36)37-2)7-8-18(22)16-9-10-30-23(21)13-16/h7-14,21H,3-6H2,1-2H3,(H,31,36)(H,32,34)(H,33,35)/t21-/s2
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111n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142882
PNG
(US10487086, Example I-265 | US8940720, I-265)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C#N)[C@H](CCCCCNc2c1)NC(=O)\C=C\c1c(F)c(Cl)ccc1C(C)=O
Show InChI InChI=1/C29H28ClFN6O4/c1-16(38)18-9-11-21(30)26(31)19(18)10-12-25(39)35-22-6-4-3-5-13-33-23-14-17(34-29(40)41-2)7-8-20(23)27-24(15-32)36-28(22)37-27/h7-12,14,22,33H,3-6,13H2,1-2H3,(H,34,40)(H,35,39)(H,36,37)/b12-10+/t22-/s2
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133n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142871
PNG
(US10487086, Example 167 | US8940720, 167 | US98029...)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)C\C=C\CC(NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3cc-2nc(C)n3)c1
Show InChI InChI=1/C29H26ClN9O4/c1-17-32-24-15-25(33-17)22(35-28(41)12-7-18-13-19(30)8-11-26(18)39-16-31-37-38-39)5-3-4-6-27(40)36-23-14-20(9-10-21(23)24)34-29(42)43-2/h3-4,7-16,22H,5-6H2,1-2H3,(H,34,42)(H,35,41)(H,36,40)/b4-3+,12-7+
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157n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352317
PNG
(US10487086, Example I-136 | US9802939, I-136)
Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@H]2CCCCCNc3cc4[nH]ncc4cc3-c3c[nH]c2n3)c1)-n1cnnn1
Show InChI InChI=1/C26H25ClN10O/c27-18-6-7-24(37-15-31-35-36-37)16(10-18)5-8-25(38)32-20-4-2-1-3-9-28-22-12-21-17(13-30-34-21)11-19(22)23-14-29-26(20)33-23/h5-8,10-15,20,28H,1-4,9H2,(H,29,33)(H,30,34)(H,32,38)/b8-5+/t20-/s2
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183n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142869
PNG
(US10487086, Example 137 | US8940720, 137 | US98029...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CC(O)C(O)CC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C27H26ClN9O6/c1-43-27(42)31-16-4-5-17-18(9-16)32-25(41)11-23(39)22(38)10-19(26-29-12-20(17)34-26)33-24(40)7-2-14-8-15(28)3-6-21(14)37-13-30-35-36-37/h2-9,12-13,19,22-23,38-39H,10-11H2,1H3,(H,29,34)(H,31,42)(H,32,41)(H,33,40)/b7-2+/t19-,22?,23?/s2
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192n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352299
PNG
((9 S,14S)-14-[(E)-3-(5-Chloro-2-tetrazol-1-yl-phen...)
Show SMILES CCOC(=O)[C@@H]1CCCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2nc(c[nH]2)-c2ccc(NC(=O)OC)cc2N1
Show InChI InChI=1/C30H32ClN9O5/c1-3-45-29(42)23-7-5-4-6-22(36-27(41)13-8-18-14-19(31)9-12-26(18)40-17-33-38-39-40)28-32-16-25(37-28)21-11-10-20(15-24(21)35-23)34-30(43)44-2/h8-17,22-23,35H,3-7H2,1-2H3,(H,32,37)(H,34,43)(H,36,41)/b13-8+/t22-,23-/s2
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203n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142900
PNG
(US10208068, Example 52 | US10487086, Example I-10 ...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)c1cn(nn1)-c1cccc(Cl)c1
Show InChI InChI=1/C26H25ClN8O4/c1-39-26(38)29-16-9-10-18-20(12-16)30-23(36)8-3-2-7-19(24-28-13-21(18)31-24)32-25(37)22-14-35(34-33-22)17-6-4-5-15(27)11-17/h4-6,9-14,19H,2-3,7-8H2,1H3,(H,28,31)(H,29,38)(H,30,36)(H,32,37)/t19-/s2
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217n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142859
PNG
(US10487086, Example 9 | US8940720, 9 | US9802939, ...)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCCCCOc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C27H26Cl2N8O4/c1-40-27(39)31-18-8-9-19-22(14-18)41-12-4-2-3-5-20(26-33-24(19)25(29)34-26)32-23(38)11-6-16-13-17(28)7-10-21(16)37-15-30-35-36-37/h6-11,13-15,20H,2-5,12H2,1H3,(H,31,39)(H,32,38)(H,33,34)/b11-6+/t20-/s2
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249n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM420077
PNG
(US10487086, Example I-70)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C)[C@H](CCCC[C@@H](Nc2c1)C(F)(F)F)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C29H29ClF3N9O3/c1-16-26-20-10-9-19(36-28(44)45-2)14-22(20)37-24(29(31,32)33)6-4-3-5-21(27(35-16)39-26)38-25(43)12-7-17-13-18(30)8-11-23(17)42-15-34-40-41-42/h7-15,21,24,37H,3-6H2,1-2H3,(H,35,39)(H,36,44)(H,38,43)/b12-7+/t21-,24+/s2
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270n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM420078
PNG
(US10487086, Example I-72)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCC[C@@H](Nc2c1)C(F)F)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C28H28ClF2N9O3/c1-43-28(42)34-18-8-9-19-22(13-18)35-20(26(30)31)4-2-3-5-21(27-32-14-23(19)37-27)36-25(41)11-6-16-12-17(29)7-10-24(16)40-15-33-38-39-40/h6-15,20-21,26,35H,2-5H2,1H3,(H,32,37)(H,34,42)(H,36,41)/b11-6+/t20-,21+/s2
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289n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142916
PNG
(US10487086, Example I-114 | US8940720, I-114)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCC(C)C(Nc2c1)C(N)=O)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C29H31ClN10O4/c1-16-4-3-5-21(35-25(41)11-6-17-12-18(30)7-10-24(17)40-15-33-38-39-40)28-32-14-23(37-28)20-9-8-19(34-29(43)44-2)13-22(20)36-26(16)27(31)42/h6-16,21,26,36H,3-5H2,1-2H3,(H2,31,42)(H,32,37)(H,34,43)(H,35,41)/b11-6+/t16?,21-,26?/s2
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296n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142901
PNG
(US10487086, Example I-13 | US8940720, I-13)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)c1ccc2NCCCc2c1
Show InChI InChI=1/C27H30N6O4/c1-37-27(36)30-18-9-10-19-22(14-18)31-24(34)7-3-2-6-21(25-29-15-23(19)32-25)33-26(35)17-8-11-20-16(13-17)5-4-12-28-20/h8-11,13-15,21,28H,2-7,12H2,1H3,(H,29,32)(H,30,36)(H,31,34)(H,33,35)/t21-/s2
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311n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142903
PNG
(US10487086, Example I-17 | US8940720, I-17)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)c1cccc2ccccc12
Show InChI InChI=1/C28H27N5O4/c1-37-28(36)30-18-13-14-21-23(15-18)31-25(34)12-5-4-11-22(26-29-16-24(21)32-26)33-27(35)20-10-6-8-17-7-2-3-9-19(17)20/h2-3,6-10,13-16,22H,4-5,11-12H2,1H3,(H,29,32)(H,30,36)(H,31,34)(H,33,35)/t22-/s2
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351n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM420084
PNG
(US10487086, Example I-104)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(Nc2c1)(C(O)=O)C(F)(F)F)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C29H27ClF3N9O5/c1-47-27(46)36-18-7-8-19-21(13-18)39-28(26(44)45,29(31,32)33)11-3-2-4-20(25-34-14-22(19)38-25)37-24(43)10-5-16-12-17(30)6-9-23(16)42-15-35-40-41-42/h5-10,12-15,20,39H,2-4,11H2,1H3,(H,34,38)(H,36,46)(H,37,43)(H,44,45)/b10-5+/t20-,28?/s2
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435n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142881
PNG
(US10487086, Example I-242 | US8940720, I-242)
Show SMILES CCOC(=O)[C@@H]1CCCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2nc(c(C)[nH]2)-c2ccc(NC(=O)OC)cc2N1
Show InChI InChI=1/C31H34ClN9O5/c1-4-46-30(43)24-8-6-5-7-23(37-27(42)14-9-19-15-20(32)10-13-26(19)41-17-33-39-40-41)29-34-18(2)28(38-29)22-12-11-21(16-25(22)36-24)35-31(44)45-3/h9-17,23-24,36H,4-8H2,1-3H3,(H,34,38)(H,35,44)(H,37,42)/b14-9+/t23-,24-/s2
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456n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM420122
PNG
(US10487086, Example II-18)
Show SMILES CCOC(=O)[C@@H]1CCCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccc(NC(=O)OC)cc2N1
Show InChI InChI=1S/C32H33ClN8O5/c1-3-46-31(43)26-7-5-4-6-25(38-30(42)13-8-21-16-22(33)9-12-29(21)41-19-35-39-40-41)28-17-20(14-15-34-28)24-11-10-23(18-27(24)37-26)36-32(44)45-2/h8-19,25-26,37H,3-7H2,1-2H3,(H,36,44)(H,38,42)/b13-8+/t25-,26-/m0/s1
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572n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM420081
PNG
(US10487086, Example I-84)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCC[C@@H](Nc2c1)C(O)=O)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C28H28ClN9O5/c1-43-28(42)32-18-8-9-19-22(13-18)33-21(27(40)41)5-3-2-4-20(26-30-14-23(19)35-26)34-25(39)11-6-16-12-17(29)7-10-24(16)38-15-31-36-37-38/h6-15,20-21,33H,2-5H2,1H3,(H,30,35)(H,32,42)(H,34,39)(H,40,41)/b11-6+/t20-,21+/s2
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580n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM420075
PNG
(US10487086, Example I-60)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCCC[C@@H](Nc2c1)C(F)(F)F)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C28H26Cl2F3N9O3/c1-45-27(44)35-17-8-9-18-20(13-17)36-22(28(31,32)33)5-3-2-4-19(26-38-24(18)25(30)39-26)37-23(43)11-6-15-12-16(29)7-10-21(15)42-14-34-40-41-42/h6-14,19,22,36H,2-5H2,1H3,(H,35,44)(H,37,43)(H,38,39)/b11-6+/t19-,22+/s2
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616n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142857
PNG
(US10487086, Example 4 | US8940720, 4 | US9802939, ...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCCc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C28H27ClN8O3/c1-40-28(39)32-21-10-11-22-18(15-21)6-4-2-3-5-7-23(27-30-16-24(22)34-27)33-26(38)13-8-19-14-20(29)9-12-25(19)37-17-31-35-36-37/h3,5,8-17,23H,2,4,6-7H2,1H3,(H,30,34)(H,32,39)(H,33,38)/b5-3+,13-8+/t23-/s2
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636n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142926
PNG
(US10487086, Example I-262 | US8940720, I-262)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)c1ccc2cccnc2c1
Show InChI InChI=1/C27H26N6O4/c1-37-27(36)30-18-10-11-19-22(14-18)31-24(34)7-3-2-6-20(25-29-15-23(19)32-25)33-26(35)17-9-8-16-5-4-12-28-21(16)13-17/h4-5,8-15,20H,2-3,6-7H2,1H3,(H,29,32)(H,30,36)(H,31,34)(H,33,35)/t20-/s2
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675n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM420090
PNG
(US10487086, Example I-121)
Show SMILES CCOC(=O)CN1CCCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2nc(c(Cl)[nH]2)-c2ccc(NC(=O)OCCOC)cc2C1
Show InChI InChI=1/C33H37Cl2N9O6/c1-3-49-29(46)19-43-13-5-4-6-26(38-28(45)12-7-21-16-23(34)8-11-27(21)44-20-36-41-42-44)32-39-30(31(35)40-32)25-10-9-24(17-22(25)18-43)37-33(47)50-15-14-48-2/h7-12,16-17,20,26H,3-6,13-15,18-19H2,1-2H3,(H,37,47)(H,38,45)(H,39,40)/b12-7+/t26-/s2
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736n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142893
PNG
(US10487086, Example II-43 | US8940720, II-43)
Show SMILES CCOC(=O)[C@@H]1CCCC[C@H](NC(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccc(NC(=O)OCCOC)cc2N1
Show InChI InChI=1/C34H36ClFN8O6/c1-3-49-33(46)27-7-5-4-6-26(41-31(45)13-10-24-30(44-20-38-42-43-44)12-11-25(35)32(24)36)29-18-21(14-15-37-29)23-9-8-22(19-28(23)40-27)39-34(47)50-17-16-48-2/h8-15,18-20,26-27,40H,3-7,16-17H2,1-2H3,(H,39,47)(H,41,45)/b13-10+/t26-,27-/s2
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938n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM420104
PNG
(US10487086, Example I-258)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C#N)[C@H](CCCCC(Cc2c1)C(=O)N(C)C)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C32H33ClN10O4/c1-42(2)31(45)20-6-4-5-7-25(37-28(44)13-8-19-15-22(33)9-12-27(19)43-18-35-40-41-43)30-38-26(17-34)29(39-30)24-11-10-23(16-21(24)14-20)36-32(46)47-3/h8-13,15-16,18,20,25H,4-7,14H2,1-3H3,(H,36,46)(H,37,44)(H,38,39)/b13-8+/t20?,25-/s2
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947n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142868
PNG
(US10487086, Example 136 | US8940720, 136 | US98029...)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)c1ccc(cc1)C#N
Show InChI InChI=1/C26H23ClN6O4/c1-37-26(36)29-17-11-12-18-20(13-17)30-21(34)6-4-2-3-5-19(24-32-22(18)23(27)33-24)31-25(35)16-9-7-15(14-28)8-10-16/h2-3,7-13,19H,4-6H2,1H3,(H,29,36)(H,30,34)(H,31,35)(H,32,33)/b3-2+/t19-/s2
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962n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142863
PNG
(US10487086, Example 89 | US8940720, 89 | US9802939...)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CC\C=C\CC(NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3cc(Cl)nnc-23)c1
Show InChI InChI=1/C29H25Cl2N9O4/c1-44-29(43)33-19-9-10-20-23(14-19)35-26(41)6-4-2-3-5-22(21-15-25(31)36-37-28(20)21)34-27(42)12-7-17-13-18(30)8-11-24(17)40-16-32-38-39-40/h2-3,7-16,22H,4-6H2,1H3,(H,33,43)(H,34,42)(H,35,41)/b3-2+,12-7+
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1.06E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM420083
PNG
(US10487086, Example I-99)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C)[C@H](CCCC[C@@H](Nc2c1)C1(C)COC1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C32H36ClN9O4/c1-19-29-23-11-10-22(36-31(44)45-3)15-25(23)37-27(32(2)16-46-17-32)7-5-4-6-24(30(35-19)39-29)38-28(43)13-8-20-14-21(33)9-12-26(20)42-18-34-40-41-42/h8-15,18,24,27,37H,4-7,16-17H2,1-3H3,(H,35,39)(H,36,44)(H,38,43)/b13-8+/t24-,27+/s2
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1.32E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM420097
PNG
(US10487086, Example I-153)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)c1ccc2[C@@H](N)CCCc2c1
Show InChI InChI=1/C29H32N6O4/c1-39-29(38)32-19-11-13-21-24(15-19)33-26(36)9-4-2-3-8-23(27-31-16-25(21)34-27)35-28(37)18-10-12-20-17(14-18)6-5-7-22(20)30/h2-3,10-16,22-23H,4-9,30H2,1H3,(H,31,34)(H,32,38)(H,33,36)(H,35,37)/b3-2+/t22-,23-/s2
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1.65E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142884
PNG
(US10487086, Example I-270 | US8940720, I-270 | US9...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(F)(F)C(=O)c2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C28H25ClF2N8O4/c1-43-27(42)34-18-7-8-19-20(13-18)25(41)28(30,31)11-3-2-4-21(26-32-14-22(19)36-26)35-24(40)10-5-16-12-17(29)6-9-23(16)39-15-33-37-38-39/h5-10,12-15,21H,2-4,11H2,1H3,(H,32,36)(H,34,42)(H,35,40)/b10-5+/t21-/s2
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1.75E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142899
PNG
(US10487086, Example I-9 | US8940720, I-9)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)c1cc(no1)-c1cccc(Cl)c1
Show InChI InChI=1/C27H25ClN6O5/c1-38-27(37)30-17-9-10-18-21(12-17)31-24(35)8-3-2-7-19(25-29-14-22(18)32-25)33-26(36)23-13-20(34-39-23)15-5-4-6-16(28)11-15/h4-6,9-14,19H,2-3,7-8H2,1H3,(H,29,32)(H,30,37)(H,31,35)(H,33,36)/t19-/s2
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1.87E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM420099
PNG
(US10487086, Example I-211)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\C(C)CC(Nc2c1)C(F)(F)F)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C30H29ClF3N9O3/c1-17-4-3-5-22(39-27(44)11-6-18-13-19(31)7-10-25(18)43-16-36-41-42-43)28-35-15-24(40-28)21-9-8-20(37-29(45)46-2)14-23(21)38-26(12-17)30(32,33)34/h3-4,6-11,13-17,22,26,38H,5,12H2,1-2H3,(H,35,40)(H,37,45)(H,39,44)/b4-3+,11-6+/t17?,22-,26?/s2
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2.17E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142902
PNG
(US10487086, Example I-14 | US8940720, I-14)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)c1ccc2ncccc2c1
Show InChI InChI=1/C27H26N6O4/c1-37-27(36)30-18-9-10-19-22(14-18)31-24(34)7-3-2-6-21(25-29-15-23(19)32-25)33-26(35)17-8-11-20-16(13-17)5-4-12-28-20/h4-5,8-15,21H,2-3,6-7H2,1H3,(H,29,32)(H,30,36)(H,31,34)(H,33,35)/t21-/s2
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2.92E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142878
PNG
(US10487086, Example I-137 | US8940720, I-137)
Show SMILES COC(=O)Nc1cc2NC(=O)[C@@H](C)CCC[C@H](NC(=O)c3c(F)cc4n(C)ncc4c3F)c3nc(c(Cl)[nH]3)-c2cc1Cl
Show InChI InChI=1/C27H25Cl2F2N7O4/c1-11-5-4-6-16(33-26(40)20-15(30)8-19-13(21(20)31)10-32-38(19)2)24-36-22(23(29)37-24)12-7-14(28)18(35-27(41)42-3)9-17(12)34-25(11)39/h7-11,16H,4-6H2,1-3H3,(H,33,40)(H,34,39)(H,35,41)(H,36,37)/t11-,16-/s2
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2.98E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352269
PNG
((E)-3-(5-Chloro-2-tetrazol-1-yl-phenyl)-N-(E)-(S)-...)
Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@H]2C\C=C\CCOc3ccccc3-c3c[nH]c2n3)c1)-n1cnnn1
Show InChI InChI=1/C25H22ClN7O2/c26-18-10-11-22(33-16-28-31-32-33)17(14-18)9-12-24(34)29-20-7-2-1-5-13-35-23-8-4-3-6-19(23)21-15-27-25(20)30-21/h1-4,6,8-12,14-16,20H,5,7,13H2,(H,27,30)(H,29,34)/b2-1+,12-9+/t20-/s2
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2.98E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM420082
PNG
(US10487086, Example I-94)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCC[C@H](Nc2c1)C1=NN(C)CC1Cl)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C31H33Cl2N11O3/c1-43-16-22(33)29(40-43)23-5-3-4-6-24(38-28(45)12-7-18-13-19(32)8-11-27(18)44-17-35-41-42-44)30-34-15-26(39-30)21-10-9-20(14-25(21)37-23)36-31(46)47-2/h7-15,17,22-24,37H,3-6,16H2,1-2H3,(H,34,39)(H,36,46)(H,38,45)/b12-7+/t22?,23-,24-/s2
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3.85E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM420087
PNG
(US10487086, Example I-108)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(Nc2c1)C(O)=O)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C28H28ClN9O5/c1-43-28(42)32-18-8-9-19-22(13-18)33-21(27(40)41)5-3-2-4-20(26-30-14-23(19)35-26)34-25(39)11-6-16-12-17(29)7-10-24(16)38-15-31-36-37-38/h6-15,20-21,33H,2-5H2,1H3,(H,30,35)(H,32,42)(H,34,39)(H,40,41)/b11-6+/t20-,21?/s2
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3.87E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142928
PNG
(US10487086, Example II-15 | US8940720, II-15 | US9...)
Show SMILES COC(=O)Nc1ccc-2c(NC(CCCC[C@H](NC(=O)c3ccc(cc3)C(N)=N)c3cc-2ccn3)C(F)(F)F)c1
Show InChI InChI=1/C28H29F3N6O3/c1-40-27(39)35-19-10-11-20-18-12-13-34-23(14-18)21(37-26(38)17-8-6-16(7-9-17)25(32)33)4-2-3-5-24(28(29,30)31)36-22(20)15-19/h6-15,21,24,36H,2-5H2,1H3,(H3,32,33)(H,35,39)(H,37,38)/t21-,24?/s2
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4.16E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142862
PNG
(US10487086, Example 21 | US8940720, 21 | US9802939...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CNC(=O)C(F)(F)CNc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C26H23ClF2N10O4/c1-43-25(42)34-16-4-5-17-18(9-16)32-12-26(28,29)24(41)31-11-20(23-30-10-19(17)36-23)35-22(40)7-2-14-8-15(27)3-6-21(14)39-13-33-37-38-39/h2-10,13,20,32H,11-12H2,1H3,(H,30,36)(H,31,41)(H,34,42)(H,35,40)/b7-2+/t20-/s2
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4.52E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142879
PNG
(US10487086, Example I-183 | US8940720, I-183)
Show SMILES CN(C)CCOC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)c1c(F)cc(C)cc1F
Show InChI InChI=1/C29H31ClF2N6O4/c1-16-13-19(31)24(20(32)14-16)28(40)35-21-7-5-4-6-8-23(39)34-22-15-17(33-29(41)42-12-11-38(2)3)9-10-18(22)25-26(30)37-27(21)36-25/h4-5,9-10,13-15,21H,6-8,11-12H2,1-3H3,(H,33,41)(H,34,39)(H,35,40)(H,36,37)/b5-4+/t21-/s2
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4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142856
PNG
(US10487086, Example 3 | US8940720, 3)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@H]1C\C=C\CCCc2ccccc2-c2c[nH]c1n2
Show InChI InChI=1/C24H32N4O/c25-15-17-11-13-19(14-12-17)24(29)28-21-10-4-2-1-3-7-18-8-5-6-9-20(18)22-16-26-23(21)27-22/h2,4-6,8-9,16-17,19,21H,1,3,7,10-15,25H2,(H,26,27)(H,28,29)/b4-2+/t17-,19-,21-/s2
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6.17E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10487086 (2019)

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