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USPatent US10081623

Compile data set for download or QSAR
Found 35 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))		BDBM286009
PNG
((E/Z)-(+/-)-Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,...)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)CCC=CCC(NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |w:15.14|
Show InChI InChI=1S/C26H27ClN8O5/c1-40-26(39)30-18-8-9-19-21(14-18)31-23(36)6-4-2-3-5-20(32-24(19)37)25(38)28-12-11-16-13-17(27)7-10-22(16)35-15-29-33-34-35/h2-3,7-10,13-15,20H,4-6,11-12H2,1H3,(H,28,38)(H,30,39)(H,31,36)(H,32,37)
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<5n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM286012
PNG
((E)-Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-tetraz...)
Show SMILES Clc1ccc(c(CCNC(=O)[C@H]2CC=CCCC(=O)Nc3ccccc3C(=O)N2)c1)-n1cnnn1 |r,w:14.14|
Show InChI InChI=1S/C24H24ClN7O3/c25-17-10-11-21(32-15-27-30-31-32)16(14-17)12-13-26-24(35)20-8-2-1-3-9-22(33)28-19-7-5-4-6-18(19)23(34)29-20/h1-2,4-7,10-11,14-15,20H,3,8-9,12-13H2,(H,26,35)(H,28,33)(H,29,34)/t20-/m1/s1
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<5n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM286021
PNG
((E)-Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-tetraz...)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)CC(C)\C=C\C[C@@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r,t:16|
Show InChI InChI=1S/C27H29ClN8O5/c1-16-4-3-5-21(26(39)29-11-10-17-13-18(28)6-9-23(17)36-15-30-34-35-36)33-25(38)20-8-7-19(31-27(40)41-2)14-22(20)32-24(37)12-16/h3-4,6-9,13-16,21H,5,10-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,37)(H,33,38)/b4-3+/t16?,21-/m1/s1
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<5n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM286020
PNG
((E)-(+/-)-Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-...)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)CC(C)\C=C\CC(NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |t:16|
Show InChI InChI=1S/C27H29ClN8O5/c1-16-4-3-5-21(26(39)29-11-10-17-13-18(28)6-9-23(17)36-15-30-34-35-36)33-25(38)20-8-7-19(31-27(40)41-2)14-22(20)32-24(37)12-16/h3-4,6-9,13-16,21H,5,10-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,37)(H,33,38)/b4-3+
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 6.24n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM286008
PNG
(US10081623, Example 21)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)[C@@H](C)CCCC[C@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r|
Show InChI InChI=1S/C27H31ClN8O5/c1-16-5-3-4-6-21(26(39)29-12-11-17-13-18(28)7-10-23(17)36-15-30-34-35-36)32-25(38)20-9-8-19(31-27(40)41-2)14-22(20)33-24(16)37/h7-10,13-16,21H,3-6,11-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,38)(H,33,37)/t16-,21-/m0/s1
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 14.1n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM286019
PNG
((Z)-(+/-)-Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-...)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)CC(C)\C=C/CC(NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |c:16|
Show InChI InChI=1S/C27H29ClN8O5/c1-16-4-3-5-21(26(39)29-11-10-17-13-18(28)6-9-23(17)36-15-30-34-35-36)33-25(38)20-8-7-19(31-27(40)41-2)14-22(20)32-24(37)12-16/h3-4,6-9,13-16,21H,5,10-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,37)(H,33,38)/b4-3-
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 17.4n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM285988
PNG
((+/-)-Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-tetr...)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)CCCCCC(NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1
Show InChI InChI=1S/C26H29ClN8O5/c1-40-26(39)30-18-8-9-19-21(14-18)31-23(36)6-4-2-3-5-20(32-24(19)37)25(38)28-12-11-16-13-17(27)7-10-22(16)35-15-29-33-34-35/h7-10,13-15,20H,2-6,11-12H2,1H3,(H,28,38)(H,30,39)(H,31,36)(H,32,37)
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 17.9n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM286000
PNG
(US10081623, Example 13)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)C[C@@H](C)CCC[C@@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r|
Show InChI InChI=1S/C27H31ClN8O5/c1-16-4-3-5-21(26(39)29-11-10-17-13-18(28)6-9-23(17)36-15-30-34-35-36)33-25(38)20-8-7-19(31-27(40)41-2)14-22(20)32-24(37)12-16/h6-9,13-16,21H,3-5,10-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,37)(H,33,38)/t16-,21+/m0/s1
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 34.3n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM286014
PNG
((E/Z)-(+/-)-N-{2-[5-Chloro-2-(1H-1,2,3,4-tetrazol-...)
Show SMILES Clc1ccc(c(CCNC(=O)C2CC=CCCC(=O)Nc3ccccc3C(=O)N2)c1)-n1cnnn1 |w:14.14|
Show InChI InChI=1S/C24H24ClN7O3/c25-17-10-11-21(32-15-27-30-31-32)16(14-17)12-13-26-24(35)20-8-2-1-3-9-22(33)28-19-7-5-4-6-18(19)23(34)29-20/h1-2,4-7,10-11,14-15,20H,3,8-9,12-13H2,(H,26,35)(H,28,33)(H,29,34)
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 39.1n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM285990
PNG
(Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-tetrazol-1...)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)CCCCC[C@@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r|
Show InChI InChI=1S/C26H29ClN8O5/c1-40-26(39)30-18-8-9-19-21(14-18)31-23(36)6-4-2-3-5-20(32-24(19)37)25(38)28-12-11-16-13-17(27)7-10-22(16)35-15-29-33-34-35/h7-10,13-15,20H,2-6,11-12H2,1H3,(H,28,38)(H,30,39)(H,31,36)(H,32,37)/t20-/m1/s1
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 41.9n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM286005
PNG
(Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-tetrazol-1...)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)[C@H](C)CCCC[C@@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r|
Show InChI InChI=1S/C27H31ClN8O5/c1-16-5-3-4-6-21(26(39)29-12-11-17-13-18(28)7-10-23(17)36-15-30-34-35-36)32-25(38)20-9-8-19(31-27(40)41-2)14-22(20)33-24(16)37/h7-10,13-16,21H,3-6,11-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,38)(H,33,37)/t16-,21-/m1/s1
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 54.3n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM286013
PNG
(US10081623, Example 26)
Show SMILES Clc1ccc(c(CCNC(=O)[C@@H]2CC=CCCC(=O)Nc3ccccc3C(=O)N2)c1)-n1cnnn1 |r,w:14.14|
Show InChI InChI=1S/C24H24ClN7O3/c25-17-10-11-21(32-15-27-30-31-32)16(14-17)12-13-26-24(35)20-8-2-1-3-9-22(33)28-19-7-5-4-6-18(19)23(34)29-20/h1-2,4-7,10-11,14-15,20H,3,8-9,12-13H2,(H,26,35)(H,28,33)(H,29,34)/t20-/m0/s1
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 64.1n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM286003
PNG
((+/-)-Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-tetr...)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)C(C)CCCC[C@@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r|
Show InChI InChI=1S/C27H31ClN8O5/c1-16-5-3-4-6-21(26(39)29-12-11-17-13-18(28)7-10-23(17)36-15-30-34-35-36)32-25(38)20-9-8-19(31-27(40)41-2)14-22(20)33-24(16)37/h7-10,13-16,21H,3-6,11-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,38)(H,33,37)/t16?,21-/m1/s1
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 73.2n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM285998
PNG
( (+/-)-Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-tet...)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)CC(C)CCCC(NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1
Show InChI InChI=1S/C27H31ClN8O5/c1-16-4-3-5-21(26(39)29-11-10-17-13-18(28)6-9-23(17)36-15-30-34-35-36)33-25(38)20-8-7-19(31-27(40)41-2)14-22(20)32-24(37)12-16/h6-9,13-16,21H,3-5,10-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,37)(H,33,38)
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 73.6n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM285999
PNG
(Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-tetrazol-1...)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)C[C@@H](C)CCC[C@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r|
Show InChI InChI=1S/C27H31ClN8O5/c1-16-4-3-5-21(26(39)29-11-10-17-13-18(28)6-9-23(17)36-15-30-34-35-36)33-25(38)20-8-7-19(31-27(40)41-2)14-22(20)32-24(37)12-16/h6-9,13-16,21H,3-5,10-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,37)(H,33,38)/t16-,21-/m0/s1
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 81.8n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM286004
PNG
(US10081623, Example 17)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)C(C)CCCC[C@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r|
Show InChI InChI=1S/C27H31ClN8O5/c1-16-5-3-4-6-21(26(39)29-12-11-17-13-18(28)7-10-23(17)36-15-30-34-35-36)32-25(38)20-9-8-19(31-27(40)41-2)14-22(20)33-24(16)37/h7-10,13-16,21H,3-6,11-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,38)(H,33,37)/t16?,21-/m0/s1
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 104n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM286011
PNG
(US10081623, Example 24)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)CC\C=C\C[C@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r,t:15|
Show InChI InChI=1S/C26H27ClN8O5/c1-40-26(39)30-18-8-9-19-21(14-18)31-23(36)6-4-2-3-5-20(32-24(19)37)25(38)28-12-11-16-13-17(27)7-10-22(16)35-15-29-33-34-35/h2-3,7-10,13-15,20H,4-6,11-12H2,1H3,(H,28,38)(H,30,39)(H,31,36)(H,32,37)/b3-2+/t20-/m0/s1
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 153n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM286010
PNG
( (Z)-Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-tetra...)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)CC\C=C\C[C@@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r,t:15|
Show InChI InChI=1S/C26H27ClN8O5/c1-40-26(39)30-18-8-9-19-21(14-18)31-23(36)6-4-2-3-5-20(32-24(19)37)25(38)28-12-11-16-13-17(27)7-10-22(16)35-15-29-33-34-35/h2-3,7-10,13-15,20H,4-6,11-12H2,1H3,(H,28,38)(H,30,39)(H,31,36)(H,32,37)/b3-2+/t20-/m1/s1
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 157n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM286022
PNG
(US10081623, Example 35)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)CC(C)\C=C\C[C@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r,t:16|
Show InChI InChI=1S/C27H29ClN8O5/c1-16-4-3-5-21(26(39)29-11-10-17-13-18(28)6-9-23(17)36-15-30-34-35-36)33-25(38)20-8-7-19(31-27(40)41-2)14-22(20)32-24(37)12-16/h3-4,6-9,13-16,21H,5,10-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,37)(H,33,38)/b4-3+/t16?,21-/m0/s1
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 216n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM286001
PNG
(US10081623, Example 14)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)C[C@H](C)CCC[C@@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r|
Show InChI InChI=1S/C27H31ClN8O5/c1-16-4-3-5-21(26(39)29-11-10-17-13-18(28)6-9-23(17)36-15-30-34-35-36)33-25(38)20-8-7-19(31-27(40)41-2)14-22(20)32-24(37)12-16/h6-9,13-16,21H,3-5,10-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,37)(H,33,38)/t16-,21-/m1/s1
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 336n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM286015
PNG
((+/-)-N-{2-[5-Chloro-2-(1H-1,2,3,4-tetrazol-1-yl)p...)
Show SMILES Clc1ccc(c(CCNC(=O)C2CCCCCC(=O)Nc3ccccc3C(=O)N2)c1)-n1cnnn1
Show InChI InChI=1S/C24H26ClN7O3/c25-17-10-11-21(32-15-27-30-31-32)16(14-17)12-13-26-24(35)20-8-2-1-3-9-22(33)28-19-7-5-4-6-18(19)23(34)29-20/h4-7,10-11,14-15,20H,1-3,8-9,12-13H2,(H,26,35)(H,28,33)(H,29,34)
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 338n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM286006
PNG
(US10081623, Example 19)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)[C@H](C)CCCC[C@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r|
Show InChI InChI=1S/C27H31ClN8O5/c1-16-5-3-4-6-21(26(39)29-12-11-17-13-18(28)7-10-23(17)36-15-30-34-35-36)32-25(38)20-9-8-19(31-27(40)41-2)14-22(20)33-24(16)37/h7-10,13-16,21H,3-6,11-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,38)(H,33,37)/t16-,21+/m1/s1
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 596n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM285993
PNG
((+/-)-Methyl N-(8-{[2-(1-carbamimidoylpiperidin-4-...)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)CCCCCC(NC2=O)C(=O)NCCC2CCN(CC2)C(N)=N)c1
Show InChI InChI=1S/C25H37N7O5/c1-37-25(36)29-17-7-8-18-20(15-17)30-21(33)6-4-2-3-5-19(31-22(18)34)23(35)28-12-9-16-10-13-32(14-11-16)24(26)27/h7-8,15-16,19H,2-6,9-14H2,1H3,(H3,26,27)(H,28,35)(H,29,36)(H,30,33)(H,31,34)
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 627n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM285994
PNG
((+/-)-Methyl N-{2,10-dioxo-8-[(2-oxo-1,2,3,4-tetra...)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)CCCCCC(NC2=O)C(=O)NC2Cc3ccccc3NC2=O)c1
Show InChI InChI=1S/C26H29N5O6/c1-37-26(36)27-16-11-12-17-20(14-16)28-22(32)10-4-2-3-9-19(30-23(17)33)24(34)31-21-13-15-7-5-6-8-18(15)29-25(21)35/h5-8,11-12,14,19,21H,2-4,9-10,13H2,1H3,(H,27,36)(H,28,32)(H,29,35)(H,30,33)(H,31,34)
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 708n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM286018
PNG
((E)-(+/-)-N-(1-Carbamimidoylpiperidin-4-yl)-2,10-d...)
Show SMILES NC(=N)N1CCC(CC1)NC(=O)[C@@H]1C\C=C\CCC(=O)Nc2ccccc2C(=O)N1 |r,t:15|
Show InChI InChI=1S/C21H28N6O3/c22-21(23)27-12-10-14(11-13-27)24-20(30)17-8-2-1-3-9-18(28)25-16-7-5-4-6-15(16)19(29)26-17/h1-2,4-7,14,17H,3,8-13H2,(H3,22,23)(H,24,30)(H,25,28)(H,26,29)/b2-1+/t17-/m0/s1
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 811n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM286002
PNG
(US10081623, Example 15)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)C[C@H](C)CCC[C@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r|
Show InChI InChI=1S/C27H31ClN8O5/c1-16-4-3-5-21(26(39)29-11-10-17-13-18(28)6-9-23(17)36-15-30-34-35-36)33-25(38)20-8-7-19(31-27(40)41-2)14-22(20)32-24(37)12-16/h6-9,13-16,21H,3-5,10-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,37)(H,33,38)/t16-,21+/m1/s1
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 812n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM285992
PNG
((+/-)-Methyl N-(8-{[(1-carbamimidoylpiperidin-4-yl...)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)CCCCCC(NC2=O)C(=O)NCC2CCN(CC2)C(N)=N)c1
Show InChI InChI=1S/C24H35N7O5/c1-36-24(35)28-16-7-8-17-19(13-16)29-20(32)6-4-2-3-5-18(30-21(17)33)22(34)27-14-15-9-11-31(12-10-15)23(25)26/h7-8,13,15,18H,2-6,9-12,14H2,1H3,(H3,25,26)(H,27,34)(H,28,35)(H,29,32)(H,30,33)
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 825n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM285995
PNG
((+/-)-Methyl N-(8-{[(5-chloro-1-benzothiophen-3-yl...)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)CCCCCC(NC2=O)C(=O)NCc2csc3ccc(Cl)cc23)c1
Show InChI InChI=1S/C26H27ClN4O5S/c1-36-26(35)29-17-8-9-18-21(12-17)30-23(32)6-4-2-3-5-20(31-24(18)33)25(34)28-13-15-14-37-22-10-7-16(27)11-19(15)22/h7-12,14,20H,2-6,13H2,1H3,(H,28,34)(H,29,35)(H,30,32)(H,31,33)
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 1.34E+3n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM286016
PNG
((E/Z)-(+/-)-N-[(1-Carbamimidoylpiperidin-4-yl)meth...)
Show SMILES NC(=N)N1CCC(CNC(=O)C2CC=CCCC(=O)Nc3ccccc3C(=O)N2)CC1 |w:14.14|
Show InChI InChI=1S/C22H30N6O3/c23-22(24)28-12-10-15(11-13-28)14-25-21(31)18-8-2-1-3-9-19(29)26-17-7-5-4-6-16(17)20(30)27-18/h1-2,4-7,15,18H,3,8-14H2,(H3,23,24)(H,25,31)(H,26,29)(H,27,30)
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 1.41E+3n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM285991
PNG
((+/-)-Methyl N-{8-[(1-carbamimidoylpiperidin-4-yl)...)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)CCCCCC(NC2=O)C(=O)NC2CCN(CC2)C(N)=N)c1
Show InChI InChI=1S/C23H33N7O5/c1-35-23(34)27-15-7-8-16-18(13-15)28-19(31)6-4-2-3-5-17(29-20(16)32)21(33)26-14-9-11-30(12-10-14)22(24)25/h7-8,13-14,17H,2-6,9-12H2,1H3,(H3,24,25)(H,26,33)(H,27,34)(H,28,31)(H,29,32)
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 1.50E+3n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM285996
PNG
((+/-)-Methyl N-{8-[3-(3-chlorophenyl)pyrrolidine-1...)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)CCCCCC(NC2=O)C(=O)N2CCC(C2)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C27H31ClN4O5/c1-37-27(36)29-20-10-11-21-23(15-20)30-24(33)9-4-2-3-8-22(31-25(21)34)26(35)32-13-12-18(16-32)17-6-5-7-19(28)14-17/h5-7,10-11,14-15,18,22H,2-4,8-9,12-13,16H2,1H3,(H,29,36)(H,30,33)(H,31,34)
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 2.07E+3n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM285989
PNG
(Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-tetrazol-1...)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)CCCCC[C@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r|
Show InChI InChI=1S/C26H29ClN8O5/c1-40-26(39)30-18-8-9-19-21(14-18)31-23(36)6-4-2-3-5-20(32-24(19)37)25(38)28-12-11-16-13-17(27)7-10-22(16)35-15-29-33-34-35/h7-10,13-15,20H,2-6,11-12H2,1H3,(H,28,38)(H,30,39)(H,31,36)(H,32,37)/t20-/m0/s1
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 2.18E+3n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM286017
PNG
((Z)-(+/-)-N-(1-Carbamimidoylpiperidin-4-yl)-2,10-d...)
Show SMILES NC(=N)N1CCC(CC1)NC(=O)[C@H]1C\C=C\CCC(=O)Nc2ccccc2C(=O)N1 |r,t:15|
Show InChI InChI=1S/C21H28N6O3/c22-21(23)27-12-10-14(11-13-27)24-20(30)17-8-2-1-3-9-18(28)25-16-7-5-4-6-15(16)19(29)26-17/h1-2,4-7,14,17H,3,8-13H2,(H3,22,23)(H,24,30)(H,25,28)(H,26,29)/b2-1+/t17-/m1/s1
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 2.20E+3n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM285997
PNG
((+/-)-Methyl N-{8-[3-(3-methoxyphenyl)piperidine-1...)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)CCCCCC(NC2=O)C(=O)N2CCCC(C2)c2cccc(OC)c2)c1
Show InChI InChI=1S/C29H36N4O6/c1-38-22-10-6-8-19(16-22)20-9-7-15-33(18-20)28(36)24-11-4-3-5-12-26(34)31-25-17-21(30-29(37)39-2)13-14-23(25)27(35)32-24/h6,8,10,13-14,16-17,20,24H,3-5,7,9,11-12,15,18H2,1-2H3,(H,30,37)(H,31,34)(H,32,35)
PDB
MMDB

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US Patent
 2.62E+3n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM286007
PNG
(US10081623, Example 20)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)[C@@H](C)CCCC[C@@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r|
Show InChI InChI=1S/C27H31ClN8O5/c1-16-5-3-4-6-21(26(39)29-12-11-17-13-18(28)7-10-23(17)36-15-30-34-35-36)32-25(38)20-9-8-19(31-27(40)41-2)14-22(20)33-24(16)37/h7-10,13-16,21H,3-6,11-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,38)(H,33,37)/t16-,21+/m0/s1
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 9.29E+3n/an/an/an/an/an/a7.4n/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 US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%