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Patent code US8901115

Compile Data Set for Download or QSAR
Found 25 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))		BDBM139976
PNG
(US8901115, 70)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC[C@@H](C)C(=O)Nc2c1)N1CC[C@H](NC1=O)c1c(F)ccc(Cl)c1F |r|
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<5<-47.4n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139967
PNG
(US8901115, 13)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)C(C)CCC[C@H](N3CC[C@@H](OC3=O)c3c(F)ccc(Cl)c3F)c3cc-2cnn3)c1 |r|
Show InChI InChI=1S/C29H28ClF2N5O5/c1-15-4-3-5-23(37-11-10-24(42-29(37)40)25-20(31)9-8-19(30)26(25)32)22-12-16(14-33-36-22)18-7-6-17(34-28(39)41-2)13-21(18)35-27(15)38/h6-9,12-15,23-24H,3-5,10-11H2,1-2H3,(H,34,39)(H,35,38)/t15?,23-,24+/m0/s1
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<5<-47.4n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139982
PNG
(US8901115, 100)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CC[C@H](OC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r|
Show InChI InChI=1S/C30H29ClF2N4O5/c1-16-4-3-5-24(37-13-11-25(42-30(37)40)26-21(32)9-8-20(31)27(26)33)23-14-17(10-12-34-23)19-7-6-18(35-29(39)41-2)15-22(19)36-28(16)38/h6-10,12,14-16,24-25H,3-5,11,13H2,1-2H3,(H,35,39)(H,36,38)/t16-,24+,25+/m1/s1
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<5<-47.4n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139975
PNG
(US8901115, 58)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC[C@@H](C)C(=O)Nc2c1)N1CCC(NC1=O)c1nccc(Cl)c1F |r|
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<5<-47.4n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139974
PNG
(US8901115, 48)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](NC1=O)c1c(F)ccc(Cl)c1F |r,t:17|
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<5<-47.4n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139970
PNG
(US8901115, 26)
Show SMILES C[C@@H]1CCC[C@H](N2CC[C@@H](OC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2cc(ccc2NC1=O)C(O)=O |r|
Show InChI InChI=1S/C29H26ClF2N3O5/c1-15-3-2-4-23(35-12-10-24(40-29(35)39)25-20(31)7-6-19(30)26(25)32)22-14-16(9-11-33-22)18-13-17(28(37)38)5-8-21(18)34-27(15)36/h5-9,11,13-15,23-24H,2-4,10,12H2,1H3,(H,34,36)(H,37,38)/t15-,23+,24-/m1/s1
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<5<-47.4n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139986
PNG
(US8901115, 152)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(CC3=O)c3cccc(Cl)c3)c3cc-2ccn3)c1 |r|
Show InChI InChI=1S/C31H33ClN4O4/c1-19-5-3-8-28(36-14-12-21(17-29(36)37)20-6-4-7-23(32)15-20)27-16-22(11-13-33-27)25-10-9-24(34-31(39)40-2)18-26(25)35-30(19)38/h4,6-7,9-11,13,15-16,18-19,21,28H,3,5,8,12,14,17H2,1-2H3,(H,34,39)(H,35,38)/t19-,21?,28+/m1/s1
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<5<-47.4n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139972
PNG
(US8901115, 37)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCCC(N3CC(=O)N(CC3=O)c3c(F)c(Cl)ccc3C(F)(F)F)c3cc-2ccn3)c1 |r|
Show InChI InChI=1S/C31H28ClF4N5O5/c1-16-4-3-5-24(40-14-26(43)41(15-25(40)42)28-20(31(34,35)36)8-9-21(32)27(28)33)23-12-17(10-11-37-23)19-7-6-18(38-30(45)46-2)13-22(19)39-29(16)44/h6-13,16,24H,3-5,14-15H2,1-2H3,(H,38,45)(H,39,44)/t16-,24?/m1/s1
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<5<-47.4n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139966
PNG
(US8901115, 9)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CCC(CC1=O)c1cccc(Cl)c1 |r,t:17|
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<5<-47.4n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139968
PNG
(US8901115, 18)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC[C@@H](C)C(=O)Nc2c1)N1CCC(NC1=O)c1c(Cl)ccc(Cl)c1F |r|
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 6.83 -46.6n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139979
PNG
(US8901115, 77)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](OC1=O)c1cc(Cl)ccc1OC(F)F |r,t:17|
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 7.46 -46.4n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139969
PNG
(US8901115, 20)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCN(CC3=O)c3cccc(Cl)c3F)c3cc-2ccn3)c1 |r|
Show InChI InChI=1S/C30H31ClFN5O4/c1-18-5-3-7-25(37-14-13-36(17-27(37)38)26-8-4-6-22(31)28(26)32)24-15-19(11-12-33-24)21-10-9-20(34-30(40)41-2)16-23(21)35-29(18)39/h4,6,8-12,15-16,18,25H,3,5,7,13-14,17H2,1-2H3,(H,34,40)(H,35,39)/t18-,25+/m1/s1
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 7.46 -46.4n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139985
PNG
(US8901115, 147)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)N1CCC(CC1=O)c1cccc(Cl)c1 |r|
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 9.48 -45.8n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139983
PNG
(US8901115, 119)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@@H](C)CCC[C@H](N3CC[C@H](OC3=O)c3c(F)ccc(Cl)c3F)c3ccnc-2c3)c1 |r|
Show InChI InChI=1S/C30H29ClF2N4O5/c1-16-4-3-5-24(37-13-11-25(42-30(37)40)26-21(32)9-8-20(31)27(26)33)17-10-12-34-22(14-17)19-7-6-18(35-29(39)41-2)15-23(19)36-28(16)38/h6-10,12,14-16,24-25H,3-5,11,13H2,1-2H3,(H,35,39)(H,36,38)/t16-,24-,25-/m0/s1
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 9.60 -45.8n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139964
PNG
(US8901115, 5)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCC[C@@H](Nc2c1)C(=O)OC)N1CCC(OC1=O)c1cccc(Cl)c1 |r|
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 12.2 -45.2n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139980
PNG
(US8901115, 79)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C#N)[C@H](CCCC[C@@H](Nc2c1)C(=O)OC)N1CCC(OC1=O)c1cccc(Cl)c1 |r|
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 13.3 -44.9n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139973
PNG
(US8901115, 40)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CCC(NC1=O)c1cc(Cl)ccn1 |r,t:17|
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 24.4 -43.4n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139978
PNG
(US8901115, 72)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC[C@@H](C)C(=O)Nc2c1)N1CC[C@@H](N(C)C1=O)c1nccc(Cl)c1F |r|
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 28.8 -43.0n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139965
PNG
(US8901115, 7)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C#N)[C@H](CCCC[C@@H](Nc2c1)C(=O)OC)N1CCC(OC1=O)c1cc(Cl)ccc1OC(F)F |r|
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 41.8 -42.1n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139984
PNG
(US8901115, 133)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(OC3=O)c3c(F)c(Cl)ccc3C(F)(F)F)c3cc-2ccn3)c1 |r|
Show InChI InChI=1S/C31H29ClF4N4O5/c1-16-4-3-5-24(40-13-11-25(45-30(40)43)26-20(31(34,35)36)8-9-21(32)27(26)33)23-14-17(10-12-37-23)19-7-6-18(38-29(42)44-2)15-22(19)39-28(16)41/h6-10,12,14-16,24-25H,3-5,11,13H2,1-2H3,(H,38,42)(H,39,41)/t16-,24+,25?/m1/s1
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 69.3 -40.9n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139977
PNG
(US8901115, 71)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC[C@@H](C)C(=O)Nc2c1)N1CC[C@H](N(C)C1=O)c1nccc(Cl)c1F |r|
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 330 -37.0n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139987
PNG
(US8901115, 158)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CCN(C(C)C1=O)c1cccc(Cl)c1 |r,t:17|
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 984 -34.3n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139971
PNG
(US8901115, 32 | US8901115, 99)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)N1CCC(C)(OC1=O)c1c(F)ccc(Cl)c1F |r,t:18|
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 1.93E+3 -32.6n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139971
PNG
(US8901115, 32 | US8901115, 99)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)N1CCC(C)(OC1=O)c1c(F)ccc(Cl)c1F |r,t:18|
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 2.46E+3 -32.0n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM139963
PNG
(US8901115, 4)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)N1CCC(OC1=O)c1cccc(Cl)c1 |r|
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US Patent
 3.40E+3 -31.2n/an/an/an/an/an/a25



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 US8901115 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XQ3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%