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Patent code US9079929

Compile Data Set for Download or QSAR
Found 29 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))		BDBM170421
PNG
(US9079929, 29 | US9079929, 30)
Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3C(=O)N2CCNCC2)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C32H28ClFN8O5/c33-25-9-10-26(42-18-36-38-39-42)24(28(25)34)8-11-27(43)41-15-12-21-22(2-1-3-23(21)31(45)40-16-13-35-14-17-40)29(41)30(44)37-20-6-4-19(5-7-20)32(46)47/h1-11,18,29,35H,12-17H2,(H,37,44)(H,46,47)/b11-8+
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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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170409
PNG
(US9079929, 47)
Show SMILES COc1ccc(c(Cl)c1)-c1cccc2C(N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C34H25Cl2FN6O5/c1-48-21-9-10-24(28(36)17-21)22-3-2-4-25-23(22)15-16-42(32(25)33(45)39-20-7-5-19(6-8-20)34(46)47)30(44)14-11-26-29(43-18-38-40-41-43)13-12-27(35)31(26)37/h2-14,17-18,32H,15-16H2,1H3,(H,39,45)(H,46,47)/b14-11+
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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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170412
PNG
(US9079929, 108)
Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c(OC4CCNCC4)cccc23)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C32H29ClFN7O5/c33-25-9-10-26(41-18-36-38-39-41)24(29(25)34)8-11-28(42)40-17-14-22-23(2-1-3-27(22)46-21-12-15-35-16-13-21)30(40)31(43)37-20-6-4-19(5-7-20)32(44)45/h1-11,18,21,30,35H,12-17H2,(H,37,43)(H,44,45)/b11-8+
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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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170407
PNG
(US9079929, 9)
Show SMILES CS(=O)(=O)Nc1cccc2C(N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H23ClFN7O6S/c1-44(42,43)33-22-4-2-3-19-18(22)13-14-36(26(19)27(39)32-17-7-5-16(6-8-17)28(40)41)24(38)12-9-20-23(37-15-31-34-35-37)11-10-21(29)25(20)30/h2-12,15,26,33H,13-14H2,1H3,(H,32,39)(H,40,41)/b12-9+
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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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170418
PNG
(US9079929, 173)
Show SMILES Cn1nccc1-c1cccc2C(N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H24ClFN8O4/c1-39-25(13-15-35-39)21-3-2-4-22-20(21)14-16-40(29(22)30(43)36-19-7-5-18(6-8-19)31(44)45)27(42)12-9-23-26(41-17-34-37-38-41)11-10-24(32)28(23)33/h2-13,15,17,29H,14,16H2,1H3,(H,36,43)(H,44,45)/b12-9+
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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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170413
PNG
(US9079929, 132)
Show SMILES CN(C)CCOc1cccc2C(N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H29ClFN7O5/c1-38(2)16-17-45-26-5-3-4-22-21(26)14-15-39(29(22)30(42)35-20-8-6-19(7-9-20)31(43)44)27(41)13-10-23-25(40-18-34-36-37-40)12-11-24(32)28(23)33/h3-13,18,29H,14-17H2,1-2H3,(H,35,42)(H,43,44)/b13-10+
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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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170428
PNG
(US9079929, 89)
Show SMILES CN(C)CCNC(=O)c1ccc(cc1)-c1cccc2C(N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C42H42ClFN8O5/c1-42(2,3)57-41(56)28-13-15-29(16-14-28)47-40(55)38-32-8-6-7-30(26-9-11-27(12-10-26)39(54)45-22-24-50(4)5)31(32)21-23-51(38)36(53)20-17-33-35(52-25-46-48-49-52)19-18-34(43)37(33)44/h6-20,25,38H,21-24H2,1-5H3,(H,45,54)(H,47,55)/b20-17+
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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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170426
PNG
(US9079929, 78)
Show SMILES CNC(=O)c1ccc(cn1)-c1cccc2C(N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C34H26ClFN8O5/c1-37-32(46)27-12-7-20(17-38-27)22-3-2-4-24-23(22)15-16-43(31(24)33(47)40-21-8-5-19(6-9-21)34(48)49)29(45)14-10-25-28(44-18-39-41-42-44)13-11-26(35)30(25)36/h2-14,17-18,31H,15-16H2,1H3,(H,37,46)(H,40,47)(H,48,49)/b14-10+
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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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170432
PNG
(US9079929, 191)
Show SMILES CN(C)c1ccc(cn1)-c1cccc2C(N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C34H28ClFN8O4/c1-42(2)29-14-8-21(18-37-29)23-4-3-5-25-24(23)16-17-43(32(25)33(46)39-22-9-6-20(7-10-22)34(47)48)30(45)15-11-26-28(44-19-38-40-41-44)13-12-27(35)31(26)36/h3-15,18-19,32H,16-17H2,1-2H3,(H,39,46)(H,47,48)/b15-11+
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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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170427
PNG
(US9079929, 80)
Show SMILES CNC(=O)c1ccc(cc1)-c1cccc2C(N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc2N=NCc2c1 |c:49|
Show InChI InChI=1S/C35H27ClFN9O3/c1-38-34(48)21-7-5-20(6-8-21)24-3-2-4-26-25(24)15-16-45(33(26)35(49)41-23-9-12-29-22(17-23)18-39-42-29)31(47)14-10-27-30(46-19-40-43-44-46)13-11-28(36)32(27)37/h2-14,17,19,33H,15-16,18H2,1H3,(H,38,48)(H,41,49)/b14-10+
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 20.1n/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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170406
PNG
(US9079929, 3)
Show SMILES COCCNC(=O)c1cccc2C(N(CCc12)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H28ClN7O6/c1-45-16-14-33-29(41)25-4-2-3-24-23(25)13-15-38(28(24)30(42)35-22-9-5-19(6-10-22)31(43)44)27(40)12-7-20-17-21(32)8-11-26(20)39-18-34-36-37-39/h2-12,17-18,28H,13-16H2,1H3,(H,33,41)(H,35,42)(H,43,44)/b12-7+
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 21.3n/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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170408
PNG
(US9079929, 34)
Show SMILES CC(=O)Nc1cccc2C(N(CCc12)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H24ClN7O5/c1-17(38)32-24-4-2-3-23-22(24)13-14-36(27(23)28(40)33-21-9-5-18(6-10-21)29(41)42)26(39)12-7-19-15-20(30)8-11-25(19)37-16-31-34-35-37/h2-12,15-16,27H,13-14H2,1H3,(H,32,38)(H,33,40)(H,41,42)/b12-7+
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 21.4n/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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170414
PNG
(US9079929, 146)
Show SMILES CC(=O)c1ccc(Cl)c(F)c1\C=C\C(=O)N1CCc2c(O)cccc2C1C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H22ClFN2O6/c1-15(33)18-9-11-22(29)25(30)20(18)10-12-24(35)32-14-13-19-21(3-2-4-23(19)34)26(32)27(36)31-17-7-5-16(6-8-17)28(37)38/h2-12,26,34H,13-14H2,1H3,(H,31,36)(H,37,38)/b12-10+
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 24.8n/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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170415
PNG
(US9079929, 150)
Show SMILES CN(C)CCNC(=O)c1ccc(cc1)-c1cccc2[C@@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1C(C)=O)C(=O)Nc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C39H36ClFN4O6/c1-23(46)28-15-17-33(40)35(41)31(28)16-18-34(47)45-21-19-30-29(24-7-9-25(10-8-24)37(48)42-20-22-44(2)3)5-4-6-32(30)36(45)38(49)43-27-13-11-26(12-14-27)39(50)51/h4-18,36H,19-22H2,1-3H3,(H,42,48)(H,43,49)(H,50,51)/b18-16+/t36-/m1/s1
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 37.0n/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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170405
PNG
(US9079929, 1)
Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c(cccc23)[N+]#[C-])C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C28H20ClN7O4/c1-30-23-4-2-3-22-21(23)13-14-35(26(22)27(38)32-20-9-5-17(6-10-20)28(39)40)25(37)12-7-18-15-19(29)8-11-24(18)36-16-31-33-34-36/h2-12,15-16,26H,13-14H2,(H,32,38)(H,39,40)/b12-7+
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 38.7n/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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170424
PNG
(US9079929, 65)
Show SMILES CC[C@H](C)NC(=O)C1N(CCc2c1cccc2-c1ccc(cc1)C(=O)NC)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1 |r|
Show InChI InChI=1S/C32H31ClFN7O3/c1-4-19(2)37-32(44)30-24-7-5-6-22(20-8-10-21(11-9-20)31(43)35-3)23(24)16-17-40(30)28(42)15-12-25-27(41-18-36-38-39-41)14-13-26(33)29(25)34/h5-15,18-19,30H,4,16-17H2,1-3H3,(H,35,43)(H,37,44)/b15-12+/t19-,30?/m0/s1
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 49.2n/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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170416
PNG
(US9079929, 152)
Show SMILES CCOC(=O)c1ccc(NC(=O)C2N(C(=O)\C=C\c3c(F)c(Cl)ccc3-n3cnnn3)C(C)(C)Cc3c(OCCC4CCN(C)CC4)cccc23)cc1
Show InChI InChI=1S/C39H43ClFN7O5/c1-5-52-38(51)26-9-11-27(12-10-26)43-37(50)36-28-7-6-8-33(53-22-19-25-17-20-46(4)21-18-25)30(28)23-39(2,3)48(36)34(49)16-13-29-32(47-24-42-44-45-47)15-14-31(40)35(29)41/h6-16,24-25,36H,5,17-23H2,1-4H3,(H,43,50)/b16-13+
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 100n/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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170429
PNG
(US9079929, 98)
Show SMILES CN(C)CCNC(=O)c1ccc(cc1)-c1cccc2[C@@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(=O)OCc1ccccn1 |r|
Show InChI InChI=1S/C44H39ClFN9O5/c1-53(2)25-23-48-42(57)29-11-9-28(10-12-29)33-7-5-8-35-34(33)21-24-54(39(56)20-17-36-38(55-27-49-51-52-55)19-18-37(45)40(36)46)41(35)43(58)50-31-15-13-30(14-16-31)44(59)60-26-32-6-3-4-22-47-32/h3-20,22,27,41H,21,23-26H2,1-2H3,(H,48,57)(H,50,58)/b20-17+/t41-/m1/s1
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 132n/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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM60501
PNG
(US9079929, 24)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1cccc2C(N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C41H44ClFN8O7/c1-40(2,3)57-38(55)25-10-12-26(13-11-25)45-36(53)35-28-8-7-9-29(37(54)48-20-22-49(23-21-48)39(56)58-41(4,5)6)27(28)18-19-50(35)33(52)17-14-30-32(51-24-44-46-47-51)16-15-31(42)34(30)43/h7-17,24,35H,18-23H2,1-6H3,(H,45,53)/b17-14+
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 170n/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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170430
PNG
(US9079929, 120)
Show SMILES CC(=O)c1ccc(Cl)c(F)c1\C=C\C(=O)N1CCc2c(cccc2-c2ccc(cc2)C(N)=O)[C@@H]1C(=O)Nc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C35H27ClFN3O6/c1-19(41)24-13-15-29(36)31(37)27(24)14-16-30(42)40-18-17-26-25(20-5-7-21(8-6-20)33(38)43)3-2-4-28(26)32(40)34(44)39-23-11-9-22(10-12-23)35(45)46/h2-16,32H,17-18H2,1H3,(H2,38,43)(H,39,44)(H,45,46)/b16-14+/t32-/m1/s1
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 291n/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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170420
PNG
(US9079929, 16)
Show SMILES CCOC(=O)[C@H]1CCCN(C1)C(=O)c1cccc2C(N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(NC(=O)OC)cc1 |r|
Show InChI InChI=1S/C37H36ClFN8O7/c1-3-54-36(51)22-6-5-18-45(20-22)35(50)27-8-4-7-26-25(27)17-19-46(33(26)34(49)41-23-9-11-24(12-10-23)42-37(52)53-2)31(48)16-13-28-30(47-21-40-43-44-47)15-14-29(38)32(28)39/h4,7-16,21-22,33H,3,5-6,17-20H2,1-2H3,(H,41,49)(H,42,52)/b16-13+/t22-,33?/m0/s1
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 332n/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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170423
PNG
(US9079929, 61)
Show SMILES CNC(=O)c1ccc(cc1)-c1cccc2C(N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)NCC(=O)OC
Show InChI InChI=1S/C31H27ClFN7O5/c1-34-30(43)19-8-6-18(7-9-19)20-4-3-5-22-21(20)14-15-39(29(22)31(44)35-16-27(42)45-2)26(41)13-10-23-25(40-17-36-37-38-40)12-11-24(32)28(23)33/h3-13,17,29H,14-16H2,1-2H3,(H,34,43)(H,35,44)/b13-10+
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 342n/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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170425
PNG
(US9079929, 66)
Show SMILES CNC(=O)c1ccc(cc1)-c1cccc2C(N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)NCc1nccn1C
Show InChI InChI=1S/C33H29ClFN9O3/c1-36-32(46)21-8-6-20(7-9-21)22-4-3-5-24-23(22)14-16-43(31(24)33(47)38-18-28-37-15-17-42(28)2)29(45)13-10-25-27(44-19-39-40-41-44)12-11-26(34)30(25)35/h3-13,15,17,19,31H,14,16,18H2,1-2H3,(H,36,46)(H,38,47)/b13-10+
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 534n/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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170421
PNG
(US9079929, 29 | US9079929, 30)
Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3C(=O)N2CCNCC2)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C32H28ClFN8O5/c33-25-9-10-26(42-18-36-38-39-42)24(28(25)34)8-11-27(43)41-15-12-21-22(2-1-3-23(21)31(45)40-16-13-35-14-17-40)29(41)30(44)37-20-6-4-19(5-7-20)32(46)47/h1-11,18,29,35H,12-17H2,(H,37,44)(H,46,47)/b11-8+
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 553n/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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170419
PNG
(US9079929, 14)
Show SMILES CCOC(=O)CCCNC(=O)c1cccc2C(N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C33H30ClF2N7O5/c1-2-48-29(45)7-4-17-37-32(46)24-6-3-5-23-22(24)16-18-42(31(23)33(47)39-21-10-8-20(35)9-11-21)28(44)15-12-25-27(43-19-38-40-41-43)14-13-26(34)30(25)36/h3,5-6,8-15,19,31H,2,4,7,16-18H2,1H3,(H,37,46)(H,39,47)/b15-12+
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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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170411
PNG
(US9079929, 93)
Show SMILES CN(C)CCNC(=O)c1ccc(cc1)-c1cccc2[C@@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(=O)OCCN(C)C |r|
Show InChI InChI=1S/C42H43ClFN9O5/c1-50(2)23-21-45-40(55)28-10-8-27(9-11-28)31-6-5-7-33-32(31)20-22-52(37(54)19-16-34-36(53-26-46-48-49-53)18-17-35(43)38(34)44)39(33)41(56)47-30-14-12-29(13-15-30)42(57)58-25-24-51(3)4/h5-19,26,39H,20-25H2,1-4H3,(H,45,55)(H,47,56)/b19-16+/t39-/m1/s1
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 951n/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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170410
PNG
(US9079929, 50)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cccc2[C@@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(F)cc1 |r|
Show InChI InChI=1S/C34H26ClF2N7O4/c1-48-34(47)40-23-9-5-20(6-10-23)24-3-2-4-26-25(24)17-18-43(32(26)33(46)39-22-11-7-21(36)8-12-22)30(45)16-13-27-29(44-19-38-41-42-44)15-14-28(35)31(27)37/h2-16,19,32H,17-18H2,1H3,(H,39,46)(H,40,47)/b16-13+/t32-/m1/s1
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 3.37E+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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170417
PNG
(US9079929, 160)
Show SMILES CCOC(=O)c1ccc(NC(=O)[C@@H]2N(CCc3c(OCCC4CCNCC4)cccc23)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1 |r|
Show InChI InChI=1S/C36H37ClFN7O5/c1-2-49-36(48)24-6-8-25(9-7-24)41-35(47)34-27-4-3-5-31(50-21-17-23-14-18-39-19-15-23)26(27)16-20-44(34)32(46)13-10-28-30(45-22-40-42-43-45)12-11-29(37)33(28)38/h3-13,22-23,34,39H,2,14-21H2,1H3,(H,41,47)/b13-10+/t34-/m1/s1
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 3.53E+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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM170431
PNG
(US9079929, 188)
Show SMILES CCOC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3-c2ccc(nc2)C(=O)NC)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C36H30ClFN8O5/c1-3-51-36(50)21-7-10-23(11-8-21)42-35(49)33-26-6-4-5-24(22-9-14-29(40-19-22)34(48)39-2)25(26)17-18-45(33)31(47)16-12-27-30(46-20-41-43-44-46)15-13-28(37)32(27)38/h4-16,19-20,33H,3,17-18H2,1-2H3,(H,39,48)(H,42,49)/b16-12+
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 3.86E+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 US9079929 (2015)


BindingDB Entry DOI: 10.7270/Q28P5Z82
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%