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Patent code US10208021

Compile Data Set for Download or QSAR
Found 21 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))
BDBM349983
PNG
((E)-4-(2-(3-(6-acetyl-3-chloro-2-fluorophenyl)acry...)
Show SMILES CN1CCN(CC1)c1cccc2C(N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1C(C)=O)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C33H32ClFN4O5/c1-20(40)23-10-12-27(34)30(35)25(23)11-13-29(41)39-15-14-24-26(4-3-5-28(24)38-18-16-37(2)17-19-38)31(39)32(42)36-22-8-6-21(7-9-22)33(43)44/h3-13,31H,14-19H2,1-2H3,(H,36,42)(H,43,44)/b13-11+
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US10208021 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM349987
PNG
((S,E)-4-(2-(3-(3-Chloro-2-fluoro-6-(1H-tetrazol-1-...)
Show SMILES CC1(C)Cc2c(cccc2N2CCNCC2)[C@H](N1C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C33H32ClFN8O4/c1-33(2)18-24-22(4-3-5-26(24)41-16-14-36-15-17-41)30(31(45)38-21-8-6-20(7-9-21)32(46)47)43(33)28(44)13-10-23-27(42-19-37-39-40-42)12-11-25(34)29(23)35/h3-13,19,30,36H,14-18H2,1-2H3,(H,38,45)(H,46,47)/b13-10+/t30-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US10208021 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM349974
PNG
((E)-4-(2-(3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)a...)
Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3N2CCNCC2)C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C31H29ClN8O4/c32-22-7-10-26(40-19-34-36-37-40)21(18-22)6-11-28(41)39-15-12-24-25(2-1-3-27(24)38-16-13-33-14-17-38)29(39)30(42)35-23-8-4-20(5-9-23)31(43)44/h1-11,18-19,29,33H,12-17H2,(H,35,42)(H,43,44)/b11-6+
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Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US10208021 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM349992
PNG
(4-((S)-2-((E)-3-(3-Chloro-2-fluoro-6-(1H-tetrazol-...)
Show SMILES CN(C)[C@@H]1CCN(C1)c1cccc2[C@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C33H32ClFN8O4/c1-40(2)22-14-16-41(18-22)27-5-3-4-24-23(27)15-17-42(31(24)32(45)37-21-8-6-20(7-9-21)33(46)47)29(44)13-10-25-28(43-19-36-38-39-43)12-11-26(34)30(25)35/h3-13,19,22,31H,14-18H2,1-2H3,(H,37,45)(H,46,47)/b13-10+/t22-,31+/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US10208021 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM349984
PNG
((E)-4-(2-(3-(3-Chloro-2-fluoro-6-(1H-tetrazol-1-yl...)
Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3N2CCC(CC2)N2CCCC2)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C36H36ClFN8O4/c37-29-11-12-31(46-22-39-41-42-46)28(33(29)38)10-13-32(47)45-21-16-26-27(34(45)35(48)40-24-8-6-23(7-9-24)36(49)50)4-3-5-30(26)44-19-14-25(15-20-44)43-17-1-2-18-43/h3-13,22,25,34H,1-2,14-21H2,(H,40,48)(H,49,50)/b13-10+
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Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US10208021 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM349993
PNG
((E)-4-(2-(3-(3-Chloro-2-fluoro-6-(1H-tetrazol-1-yl...)
Show SMILES CCOC(=O)c1cc(C)n(n1)-c1cccc2C(N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C34H28ClFN8O6/c1-3-50-34(49)26-17-19(2)44(39-26)28-6-4-5-23-22(28)15-16-42(31(23)32(46)38-21-9-7-20(8-10-21)33(47)48)29(45)14-11-24-27(43-18-37-40-41-43)13-12-25(35)30(24)36/h4-14,17-18,31H,3,15-16H2,1-2H3,(H,38,46)(H,47,48)/b14-11+
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Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US10208021 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM349990
PNG
(4-((R)-2-((E)-3-(3-Chloro-2-fluoro-6-(1H-tetrazol-...)
Show SMILES CN(C)[C@H]1CCN(C1)c1cccc2[C@@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C33H32ClFN8O4/c1-40(2)22-14-16-41(18-22)27-5-3-4-24-23(27)15-17-42(31(24)32(45)37-21-8-6-20(7-9-21)33(46)47)29(44)13-10-25-28(43-19-36-38-39-43)12-11-26(34)30(25)35/h3-13,19,22,31H,14-18H2,1-2H3,(H,37,45)(H,46,47)/b13-10+/t22-,31+/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US10208021 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM349988
PNG
(4-((S)-2-((E)-3-(3-Chloro-2-fluoro-6-(1H-tetrazol-...)
Show SMILES CN(C)[C@H]1CCN(C1)c1cccc2[C@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C33H32ClFN8O4/c1-40(2)22-14-16-41(18-22)27-5-3-4-24-23(27)15-17-42(31(24)32(45)37-21-8-6-20(7-9-21)33(46)47)29(44)13-10-25-28(43-19-36-38-39-43)12-11-26(34)30(25)35/h3-13,19,22,31H,14-18H2,1-2H3,(H,37,45)(H,46,47)/b13-10+/t22-,31-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US10208021 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM349991
PNG
(4-((R)-2-((E)-3-(3-Chloro-2-fluoro-6-(1H-tetrazol-...)
Show SMILES CN(C)[C@@H]1CCN(C1)c1cccc2[C@@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C33H32ClFN8O4/c1-40(2)22-14-16-41(18-22)27-5-3-4-24-23(27)15-17-42(31(24)32(45)37-21-8-6-20(7-9-21)33(46)47)29(44)13-10-25-28(43-19-36-38-39-43)12-11-26(34)30(25)35/h3-13,19,22,31H,14-18H2,1-2H3,(H,37,45)(H,46,47)/b13-10+/t22-,31-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US10208021 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM349975
PNG
((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...)
Show SMILES CN1CCN(C(=O)C1)c1cccc2[C@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C32H28ClFN8O5/c1-39-15-16-40(28(44)17-39)25-4-2-3-22-21(25)13-14-41(30(22)31(45)36-20-7-5-19(6-8-20)32(46)47)27(43)12-9-23-26(42-18-35-37-38-42)11-10-24(33)29(23)34/h2-12,18,30H,13-17H2,1H3,(H,36,45)(H,46,47)/b12-9+/t30-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US10208021 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM349982
PNG
((E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl...)
Show SMILES CC1(C)Cc2c(cccc2N2CCNCC2)C(N1C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C33H32ClFN8O4/c1-33(2)18-24-22(4-3-5-26(24)41-16-14-36-15-17-41)30(31(45)38-21-8-6-20(7-9-21)32(46)47)43(33)28(44)13-10-23-27(42-19-37-39-40-42)12-11-25(34)29(23)35/h3-13,19,30,36H,14-18H2,1-2H3,(H,38,45)(H,46,47)/b13-10+
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Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US10208021 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM349986
PNG
((S,E)-Ethyl 4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetra...)
Show SMILES CCOC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCN(C)CC2=O)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C34H32ClFN8O5/c1-3-49-34(48)21-7-9-22(10-8-21)38-33(47)32-24-5-4-6-27(42-18-17-41(2)19-30(42)46)23(24)15-16-43(32)29(45)14-11-25-28(44-20-37-39-40-44)13-12-26(35)31(25)36/h4-14,20,32H,3,15-19H2,1-2H3,(H,38,47)/b14-11+/t32-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US10208021 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM349989
PNG
(US10208021, Example 207 | tert-butyl 4-((S)-2-((E)...)
Show SMILES CN(C)[C@H]1CCN(C1)c1cccc2[C@H](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/C37H40ClFN8O4/c1-37(2,3)51-36(50)23-9-11-24(12-10-23)41-35(49)34-27-7-6-8-30(45-19-17-25(21-45)44(4)5)26(27)18-20-46(34)32(48)16-13-28-31(47-22-40-42-43-47)15-14-29(38)33(28)39/h6-16,22,25,34H,17-21H2,1-5H3,(H,41,49)/b16-13+/t25-,34-/m0/s1
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7.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US10208021 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM349979
PNG
((E)-4-(2-(3-(5-Chloro-2-(1H-tetrazol-1-yl)phenyl)a...)
Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3N2CCCCC2=O)C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C32H28ClN7O5/c33-22-10-13-26(40-19-34-36-37-40)21(18-22)9-14-29(42)39-17-15-24-25(4-3-5-27(24)38-16-2-1-6-28(38)41)30(39)31(43)35-23-11-7-20(8-12-23)32(44)45/h3-5,7-14,18-19,30H,1-2,6,15-17H2,(H,35,43)(H,44,45)/b14-9+
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7.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US10208021 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM349980
PNG
((E)-4-(2-(3-(5-chloro-4-fluoro-2-(1H-tetrazol-1-yl...)
Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3N2CCNCC2)C(=O)\C=C\c2cc(Cl)c(F)cc2-n2cnnn2)cc1
Show InChI InChI=1S/C31H28ClFN8O4/c32-24-16-20(27(17-25(24)33)41-18-35-37-38-41)6-9-28(42)40-13-10-22-23(2-1-3-26(22)39-14-11-34-12-15-39)29(40)30(43)36-21-7-4-19(5-8-21)31(44)45/h1-9,16-18,29,34H,10-15H2,(H,36,43)(H,44,45)/b9-6+
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7.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US10208021 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM349981
PNG
((E)-N-(4-carbamoylphenyl)-2-(3-(5-chloro-4-fluoro-...)
Show SMILES NC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3N2CCNCC2)C(=O)\C=C\c2cc(Cl)c(F)cc2-n2cnnn2)cc1
Show InChI InChI=1S/C31H29ClFN9O3/c32-24-16-20(27(17-25(24)33)42-18-36-38-39-42)6-9-28(43)41-13-10-22-23(2-1-3-26(22)40-14-11-35-12-15-40)29(41)31(45)37-21-7-4-19(5-8-21)30(34)44/h1-9,16-18,29,35H,10-15H2,(H2,34,44)(H,37,45)/b9-6+
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7.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US10208021 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM349977
PNG
((R,E)-4-(2-(3-(3-Chloro-2-fluoro-6-(1H-tetrazol-1-...)
Show SMILES CC1(C)Cc2c(cccc2N2CCNCC2)[C@@H](N1C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C33H32ClFN8O4/c1-33(2)18-24-22(4-3-5-26(24)41-16-14-36-15-17-41)30(31(45)38-21-8-6-20(7-9-21)32(46)47)43(33)28(44)13-10-23-27(42-19-37-39-40-42)12-11-25(34)29(23)35/h3-13,19,30,36H,14-18H2,1-2H3,(H,38,45)(H,46,47)/b13-10+/t30-/m1/s1
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107n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US10208021 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM349978
PNG
((E)-4-(2-(3-(2-(Aminomethyl)-5-chlorophenyl)acrylo...)
Show SMILES NCc1ccc(Cl)cc1\C=C\C(=O)N1CCc2c(cccc2N2CCNCC2)C1C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H32ClN5O4/c32-23-8-4-22(19-33)21(18-23)7-11-28(38)37-15-12-25-26(2-1-3-27(25)36-16-13-34-14-17-36)29(37)30(39)35-24-9-5-20(6-10-24)31(40)41/h1-11,18,29,34H,12-17,19,33H2,(H,35,39)(H,40,41)/b11-7+
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300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US10208021 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM349994
PNG
((E)-Ethyl 1-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazo...)
Show SMILES CCOC(=O)c1cc(C)n(n1)-c1cccc2C(N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C33H27ClF2N8O4/c1-3-48-33(47)26-17-19(2)44(39-26)28-6-4-5-23-22(28)15-16-42(31(23)32(46)38-21-9-7-20(35)8-10-21)29(45)14-11-24-27(43-18-37-40-41-43)13-12-25(34)30(24)36/h4-14,17-18,31H,3,15-16H2,1-2H3,(H,38,46)/b14-11+
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300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US10208021 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM349985
PNG
((R,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...)
Show SMILES CN1CCN(C(=O)C1)c1cccc2[C@@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C32H28ClFN8O5/c1-39-15-16-40(28(44)17-39)25-4-2-3-22-21(25)13-14-41(30(22)31(45)36-20-7-5-19(6-8-20)32(46)47)27(43)12-9-23-26(42-18-35-37-38-42)11-10-24(33)29(23)34/h2-12,18,30H,13-17H2,1H3,(H,36,45)(H,46,47)/b12-9+/t30-/m1/s1
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300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US10208021 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM349976
PNG
((R,E)-Ethyl 4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetra...)
Show SMILES CCOC(=O)c1ccc(NC(=O)[C@@H]2N(CCc3c2cccc3N2CCN(C)CC2=O)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C34H32ClFN8O5/c1-3-49-34(48)21-7-9-22(10-8-21)38-33(47)32-24-5-4-6-27(42-18-17-41(2)19-30(42)46)23(24)15-16-43(32)29(45)14-11-25-28(44-20-37-39-40-44)13-12-26(35)31(25)36/h4-14,20,32H,3,15-19H2,1-2H3,(H,38,47)/b14-11+/t32-/m1/s1
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1.05E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US10208021 (2019)

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