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Compile Data Set for Download or QSAR

Found 77 hits Enz. Inhib. hit(s) with all data for entry = 6649   
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))
BDBM47108
PNG
(US10487086, Example 10 | US11136327, Example 10 | ...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor XI


(Homo sapiens (Human))
BDBM142885
PNG
(US10487086, Example I-278 | US11136327, Example I-...)
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 |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
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 |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142864
PNG
(US10487086, Example 90 | US11136327, Example 90 | ...)
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 |r,wU:22.21,18.18,wD:25.25,t:15,(11.34,.5,;10,1.27,;8.67,.5,;8.67,-1.04,;7.34,1.27,;6,.5,;6,-1.04,;4.67,-1.81,;3.33,-1.04,;3.33,.5,;2,1.27,;2,2.81,;3.45,3.34,;.91,3.9,;-.62,4.12,;-1.71,3.03,;-1.31,1.54,;-2.4,.45,;-2,-1.04,;-3.33,-1.81,;-4.67,-1.04,;-4.67,.5,;-6,-1.81,;-6,-3.35,;-7.34,-4.12,;-8.67,-3.35,;-10,-4.12,;-11.34,-3.35,;-8.67,-1.81,;-7.34,-1.04,;-.67,-1.81,;.67,-1.04,;2,-1.81,;2,-3.35,;.67,-4.12,;-.67,-3.35,;4.67,1.27,)|
Show InChI InChI=1S/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-/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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142865
PNG
(US10487086, Example 93 | US11136327, Example 93 | ...)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CC\C=C\CC(NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3cccc-2c3)c1 |t:15|
Show InChI InChI=1S/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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142866
PNG
(US10487086, Example 121 | US11136327, Example 121 ...)
Show SMILES Clc1[nH]c2nc1-c1ccccc1NC(=O)OC\C=C\C[C@@H]2NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:19|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142930
PNG
(US10487086, Example II-35 | US11136327, Example II...)
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 |r|
Show InChI InChI=1S/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+/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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142897
PNG
(US10487086, Example I-4 | US11136327, Example I-4 ...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)c1ccc(cc1)C(N)=N |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142898
PNG
(US10487086, Example I-5 | US11136327, Example I-5 ...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1ccnn1 |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142904
PNG
(US11136327, Example I-21 | US8940720, I-21)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3F)[C@H](CCCCC(=O)Nc2c1)NC(=O)c1c(F)cc2n(C)cnc2c1F |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142927
PNG
(US11136327, Example II-13 | US8940720, II-13 | US9...)
Show SMILES COC(=O)Nc1ccc-2c(NC(CCCC[C@H](NC(=O)C3CC[C@H](CN)CC3)c3cc-2ccn3)C(F)(F)F)c1 |r,wU:16.16,wD:23.23,(11.38,-1.36,;10.29,-.28,;8.8,-.67,;8.41,-2.16,;7.72,.42,;6.23,.02,;5.83,-1.47,;4.34,-1.87,;3.25,-.78,;3.65,.71,;1.96,2.31,;1.96,3.85,;.62,4.62,;-.71,3.85,;-.71,2.31,;-2.05,1.54,;-2.05,,;-3.38,-.77,;-4.71,,;-4.71,1.54,;-6.05,-.77,;-6.05,-2.31,;-7.38,-3.08,;-8.71,-2.31,;-10.05,-3.08,;-10.05,-4.62,;-8.71,-.77,;-7.38,0,;-.71,-.77,;.78,-.37,;1.86,-1.46,;1.47,-2.95,;-.02,-3.35,;-1.11,-2.26,;3.29,4.62,;4.62,3.85,;3.29,6.16,;4.62,5.39,;5.14,1.11,)|
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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
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 |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142873
PNG
(US10487086, Example I-77 | US11136327, Example I-7...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCC[C@H](CO)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142910
PNG
(US10487086, Example I-80 | US11136327, Example I-8...)
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 |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142917
PNG
(US10487086, Example I-115 | US11136327, Example I-...)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C#N)[C@H](CCCCCNc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142919
PNG
(BDBM420091 | US11136327, Example I-124 | US8940720...)
Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@H]2CCCCCNc3cc(NC(=O)OC[C@H]4CCCO4)ccc3-c3c[nH]c2n3)c1)-n1cnnn1 |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142876
PNG
(US10487086, Example I-134 | US11136327, Example I-...)
Show SMILES COC(=O)Nc1ccc2-c3cnc(o3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
Show InChI InChI=1S/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-/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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142920
PNG
(US8940720, I-151)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CC(=O)Nc2c1)NC(=O)c1ccc2CNCCc2c1 |r,t:17|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142890
PNG
(US10487086, Example II-3 | US11136327, Example II-...)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CC\C=C\C[C@H](NC(=O)c3ccc(cc3)C(N)=N)c3cc-2ccn3)c1 |r,t:15|
Show InChI InChI=1S/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-/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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142880
PNG
(US10487086, Example I-227 | US11136327, Example I-...)
Show SMILES Fc1ccc2NC(=O)CC\C=C\C[C@H](NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3nc(c(Cl)[nH]3)-c2c1 |r,t: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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142924
PNG
(US10487086, Example I-251 | US11136327, Example I-...)
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 |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142889
PNG
(US10487086, Example I-311 | US11136327, Example I-...)
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 |r,t:18|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142895
PNG
(US10487086, Example II-62 | US11136327, Example II...)
Show SMILES CCOC(=O)C1CCCCC(NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2cc(cc(=O)[nH]2)-c2ccc(NC(=O)OC)cc2N1
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142860
PNG
(US10487086, Example 11 | US11136327, Example 11 | ...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCCNc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142905
PNG
(US8940720, I-57)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCCC(C)C(=O)Nc2c1)NC(=O)c1c(F)cc2n(C)cnc2c1F |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142888
PNG
(US10487086, Example I-309 | US11136327, Example I-...)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cccc(Cl)c1 |r,t:18|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142883
PNG
(US10487086, Example I-268 | US11136327, Example I-...)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C#N)[C@H](CCCCCNc2c1)NC(=O)\C=C\c1cc(C)ccc1-n1cnnn1 |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142887
PNG
(US10487086, Example I-299 | US11136327, Example I-...)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C(=O)N(C)C)[C@H](CCCCCNc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142870
PNG
(US10487086, Example 138 | US11136327, Example 138 ...)
Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@H]2CCCCC(=O)Nc3cnccc3-c3ccnc2c3)c1)-n1cnnn1 |r|
Show InChI InChI=1S/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-/m0/s1
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142921
PNG
(US8940720, I-152)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CC(=O)Nc2c1)NC(=O)c1ccc2[C@H](N)CCCc2c1 |r,t:17|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
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 |r|
Show InChI InChI=1S/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+/m0/s1
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142892
PNG
(US10487086, Example II-10 | US11136327, Example II...)
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=1S/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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
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 |r,w:17.17|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142867
PNG
(US8940720, 122)
Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@H]2C\C=C\CCC(=O)Nc3ccccc3-c3nnc2o3)c1)-n1cnnn1 |r,w:15.14,t:13|
Show InChI InChI=1S/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-/m0/s1
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142875
PNG
(US10487086, Example I-107 | US11136327, Example I-...)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3F)[C@H](CCCC\C=N\c2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:21|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142858
PNG
(US10487086, Example 6 | US11136327, Example 6 | US...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCCCc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142861
PNG
(US10487086, Example 19 | US11136327, Example 19 | ...)
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 |r,c:17|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142886
PNG
(US10487086, Example I-284 | US11136327, Example I-...)
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 |r,t:13|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142891
PNG
(US10487086, Example II-4 | US11136327, Example II-...)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CCCC[C@H](NC(=O)c3c(F)cc(C)cc3F)c3cc-2ccn3)c1 |r|
Show InChI InChI=1S/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-/m0/s1
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142882
PNG
(US10487086, Example I-265 | US11136327, Example I-...)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C#N)[C@H](CCCCCNc2c1)NC(=O)\C=C\c1c(F)c(Cl)ccc1C(C)=O |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142871
PNG
(US10487086, Example 167 | US11136327, Example 167 ...)
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 |t:14|
Show InChI InChI=1S/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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142877
PNG
(US8940720, I-136)
Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@H]2CCCCC(=O)Nc3cc4[nH]ncc4cc3-c3c[nH]c2n3)c1)-n1cnnn1 |r|
Show InChI InChI=1S/C26H21ClN10O2/c27-17-6-7-23(37-14-30-35-36-37)15(9-17)5-8-25(39)31-19-3-1-2-4-24(38)32-21-11-20-16(12-29-34-20)10-18(21)22-13-28-26(19)33-22/h5-14,19H,1-4H2,(H,31,39)(H,32,38)/b8-5+,22-18-/t19-/m0/s1
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142869
PNG
(US10487086, Example 137 | US11136327, Example 137 ...)
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 |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142872
PNG
(US8940720, I-67)
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 |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142859
PNG
(US10487086, Example 9 | US11136327, Example 9 | US...)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCCCCOc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142908
PNG
(US8940720, I-70)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C)[C@H](CCCCC(Nc2c1)C(F)(F)F)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142909
PNG
(US8940720, I-72)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(Nc2c1)C(F)F)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142916
PNG
(US10487086, Example I-114 | US11136327, Example I-...)
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 |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
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 |r|
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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 US8940720 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B20
More data for this
Ligand-Target Pair
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