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Patent code US9802939

Compile Data Set for Download or QSAR
Found 77 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))
BDBM142864
PNG
(US10487086, Example 90 | US8940720, 90 | US9802939...)
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
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 Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352295
PNG
(US9802939, I-21)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\CC(=O)Nc2c1)NC(=O)c1c(F)cc2n(C)cnc2c1F
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142866
PNG
(US10487086, Example 121 | US8940720, 121 | US98029...)
Show SMILES Clc1[nH]c2nc1-c1ccccc1NC(=O)OC\C=C\C[C@@H]2NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142890
PNG
(US10487086, Example II-3 | US8940720, II-3 | US980...)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CC\C=C\C[C@H](NC(=O)c3ccc(cc3)C(N)=N)c3cc-2ccn3)c1
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 Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352297
PNG
(US9802939, I-59)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\C(C)C(=O)Nc2c1)NC(=O)c1c(F)cc2n(C)ccc2c1F
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352302
PNG
(US9802939, I-77 | {(9R,14S)-14-[(E)-3-(5-Chloro-2-...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC[C@H](CO)[C@H](CO)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352315
PNG
(US9802939, I-124)
Show SMILES COCCOC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCCNc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142924
PNG
(US10487086, Example I-251 | US8940720, I-251 | US9...)
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
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142885
PNG
(US10487086, Example I-278 | US8940720, I-278 | US9...)
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
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142927
PNG
(US8940720, II-13 | US9802939, II-13)
Show SMILES COC(=O)Nc1ccc-2c(NC(CCCC[C@H](NC(=O)C3CC[C@H](CN)CC3)c3cc-2ccn3)C(F)(F)F)c1
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 Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352337
PNG
(US9802939, I-311)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CC(=O)Nc2c1)NC(=O)\C=C\c1c(F)c(Cl)ccc1C(F)(F)F
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
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
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142865
PNG
(US10487086, Example 93 | US8940720, 93 | US9802939...)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CC\C=C\CC(NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3cccc-2c3)c1
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 Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352303
PNG
(US9802939, I-80)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC[C@@H]([C@H](CO)Nc2c1)C(=O)N1CCCC1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352288
PNG
(US9802939, I-4)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\CC(=O)Nc2c1)NC(=O)c1ccc(cc1)C(N)=N
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142917
PNG
(US10487086, Example I-115 | US8940720, I-115 | US9...)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C#N)[C@H](CCCCCNc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142876
PNG
(US10487086, Example I-134 | US8940720, I-134 | US9...)
Show SMILES COC(=O)Nc1ccc2-c3cnc(o3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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 Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352347
PNG
(US9802939, II-62)
Show SMILES CCOC(=O)[C@H]1CCCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2cc(cc(=O)n2)-c2ccc(NC(=O)OC)cc2N1
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352289
PNG
(US9802939, I-5)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\CC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1ccnn1
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352344
PNG
(US9802939, II-35)
Show SMILES COC(=O)Nc1ccc-2c(N[C@H](CCCC[C@H](NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3cc-2ccn3)C(=O)N2CCNCC2)c1
Show InChI InChI=1S/C34H37ClN10O4/c1-49-34(48)39-25-8-9-26-22-12-13-37-30(19-22)27(4-2-3-5-28(40-29(26)20-25)33(47)44-16-14-36-15-17-44)41-32(46)11-6-23-18-24(35)7-10-31(23)45-21-38-42-43-45/h6-13,18-21,27-28,36,40H,2-5,14-17H2,1H3,(H,39,48)(H,41,46)/b11-6+/t27-,28+/m0/s1
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142880
PNG
(US10487086, Example I-227 | US8940720, I-227 | US9...)
Show SMILES Fc1ccc2NC(=O)CC\C=C\C[C@H](NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3nc(c(Cl)[nH]3)-c2c1
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352320
PNG
(US9802939, I-151)
Show SMILES CC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)c1ccc2CNCCc2c1
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM47108
PNG
(US10487086, Example 10 | US8828983, 10 | US8940720...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor XI


(Homo sapiens (Human))
BDBM142860
PNG
(US10487086, Example 11 | US8940720, 11 | US9802939...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCCNc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352296
PNG
(US9802939, I-57)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\C(C)C(=O)Nc2c1)NC(=O)c1c(F)cc2n(C)ncc2c1F
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6.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352331
PNG
(US9802939, I-268)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C#N)[C@H](CCCCCNc2c1)NC(=O)\C=C\c1cc(C)ccc1N1CNN=N1
Show InChI InChI=1S/C29H32N10O3/c1-18-7-11-25(39-17-32-37-38-39)19(14-18)8-12-26(40)34-22-6-4-3-5-13-31-23-15-20(33-29(41)42-2)9-10-21(23)27-24(16-30)35-28(22)36-27/h7-12,14-15,22,31H,3-6,13,17H2,1-2H3,(H,32,38)(H,33,41)(H,34,40)(H,35,36)/b12-8+/t22-/m0/s1
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352336
PNG
(US9802939, I-309)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CC(=O)Nc2c1)NC(=O)\C=C\c1cccc(Cl)c1
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352335
PNG
(US9802939, I-299)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C(=O)N(C)C)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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19n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142870
PNG
(US10487086, Example 138 | US8940720, 138 | US98029...)
Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@H]2CCCCC(=O)Nc3cnccc3-c3ccnc2c3)c1)-n1cnnn1
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 Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
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
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 Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352321
PNG
(US9802939, I-152)
Show SMILES CC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)c1ccc2[C@H](N)CCCc2c1
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21n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142892
PNG
(US10487086, Example II-10 | US8940720, II-10 | US9...)
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 Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352308
PNG
(US9802939, I-106 | {(S)-14-[(E)-3-(5-Chloro-2-tetr...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC\C=C\C(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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24n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352283
PNG
((E)-3-(5-Chloro-2-tetrazol-1-yl-phenyl)-N—((S...)
Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@H]2CC=CCCC(=O)Nc3ccccc3-c3nnc2o3)c1)-n1cnnn1
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 Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142875
PNG
(US10487086, Example I-107 | US8940720, I-107 | US9...)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3F)[C@H](CCCC\C=N\c2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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29n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142858
PNG
(US10487086, Example 6 | US8940720, 6 | US9802939, ...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCCCc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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34n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142861
PNG
(US10487086, Example 19 | US8940720, 19 | US9802939...)
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
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96n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352334
PNG
(US9802939, I-284)
Show SMILES CC(=O)c1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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102n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142891
PNG
(US10487086, Example II-4 | US8940720, II-4 | US980...)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CCCC[C@H](NC(=O)c3c(F)cc(C)cc3F)c3cc-2ccn3)c1
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 Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352330
PNG
(US9802939, I-265)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C#N)[C@H](CCCNC(=O)Nc2c1)NC(=O)\C=C\c1c(F)c(Cl)ccc1C(C)=O
Show InChI InChI=1S/C28H25ClFN7O5/c1-14(38)16-7-9-19(29)24(30)17(16)8-10-23(39)34-20-4-3-11-32-27(40)36-21-12-15(33-28(41)42-2)5-6-18(21)25-22(13-31)35-26(20)37-25/h5-10,12,20H,3-4,11H2,1-2H3,(H,33,41)(H,34,39)(H,35,37)(H2,32,36,40)/b10-8+/t20-/m0/s1
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133n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142871
PNG
(US10487086, Example 167 | US8940720, 167 | US98029...)
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
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 Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352317
PNG
(US10487086, Example I-136 | US9802939, I-136)
Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@H]2CCCCCNc3cc4[nH]ncc4cc3-c3c[nH]c2n3)c1)-n1cnnn1
Show InChI InChI=1S/C26H23ClN10O/c27-18-6-7-24(37-15-31-35-36-37)16(10-18)5-8-25(38)32-20-4-2-1-3-9-28-22-12-21-17(13-30-34-21)11-19(22)23-14-29-26(20)33-23/h5-8,10-15,20,28H,1-4,9H2,(H,32,38)/b8-5+,23-19-/t20-/m0/s1
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183n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142869
PNG
(US10487086, Example 137 | US8940720, 137 | US98029...)
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
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192n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352299
PNG
((9 S,14S)-14-[(E)-3-(5-Chloro-2-tetrazol-1-yl-phen...)
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
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203n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352291
PNG
(US9802939, I-10)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\CC(=O)Nc2c1)NC(=O)c1cn(nn1)-c1cccc(Cl)c1
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217n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142859
PNG
(US10487086, Example 9 | US8940720, 9 | US9802939, ...)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCCCCOc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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249n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352300
PNG
(US9802939, I-70)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C)C(C\C=C\[C@@H](C(=O)Nc2c1)C(F)(F)F)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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270n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352301
PNG
(US9802939, I-72)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\[C@H](C(F)F)C(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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289n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352311
PNG
(US9802939, I-114)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCC(C)C(C(N)=O)C(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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296n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352292
PNG
(US9802939, I-13)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\CC(=O)Nc2c1)NC(=O)c1ccc2NCCCc2c1
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311n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352294
PNG
(US9802939, I-17)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\CC(=O)Nc2c1)NC(=O)c1cccc2ccccc12
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351n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352307
PNG
(US9802939, I-104)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCC(CNc2c1)(C(C)=O)C(F)(F)F)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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435n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352326
PNG
(US9802939, I-242)
Show SMILES CCOC(=O)[C@H]1CCCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2nc(c(C)[nH]2)-c2ccc(NC(=O)OC)cc2N1
Show InChI InChI=1S/C31H34ClN9O5/c1-4-46-30(43)24-8-6-5-7-23(37-27(42)14-9-19-15-20(32)10-13-26(19)41-17-33-39-40-41)29-34-18(2)28(38-29)22-12-11-21(16-25(22)36-24)35-31(44)45-3/h9-17,23-24,36H,4-8H2,1-3H3,(H,34,38)(H,35,44)(H,37,42)/b14-9+/t23-,24+/m0/s1
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456n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352343
PNG
(US9802939, II-18)
Show SMILES CO[C@@H](O)C1CCCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccc(NC(=O)OC)cc2N1
Show InChI InChI=1S/C31H33ClN8O5/c1-44-30(42)25-6-4-3-5-24(37-29(41)12-7-20-15-21(32)8-11-28(20)40-18-34-38-39-40)27-16-19(13-14-33-27)23-10-9-22(17-26(23)36-25)35-31(43)45-2/h7-18,24-25,30,36,42H,3-6H2,1-2H3,(H,35,43)(H,37,41)/b12-7+/t24-,25?,30+/m0/s1
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572n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352304
PNG
(US9802939, I-84)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC[C@@H]([C@H](CO)Nc2c1)C(O)=O)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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580n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352298
PNG
(US9802939, I-60)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\[C@@H](C(=O)Nc2c1)C(F)(F)F)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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616n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142857
PNG
(US10487086, Example 4 | US8940720, 4 | US9802939, ...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCCc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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636n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352329
PNG
(US9802939, I-262)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C)[C@H](CCCC(c3ccc4ncccc4c3)C(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C37H33ClN10O4/c1-21-34-28-12-11-26(42-37(51)52-2)19-31(28)44-36(50)27(22-8-13-29-23(17-22)5-4-16-39-29)6-3-7-30(35(41-21)45-34)43-33(49)15-9-24-18-25(38)10-14-32(24)48-20-40-46-47-48/h4-5,8-20,27,30H,3,6-7H2,1-2H3,(H,41,45)(H,42,51)(H,43,49)(H,44,50)/b15-9+/t27?,30-/m0/s1
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675n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352314
PNG
(US9802939, I-121)
Show SMILES CCC(=O)N1CCCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2nc(c[nH]2)-c2ccc(NC(=O)OC)cc2NC1=O
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736n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352345
PNG
(US9802939, II-43)
Show SMILES CCC(=O)[C@H]1CCCC[C@H](NC(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccc(NC(=O)OCCOC)cc2N1
Show InChI InChI=1S/C34H36ClFN8O5/c1-3-31(45)27-7-5-4-6-26(41-32(46)13-10-24-30(44-20-38-42-43-44)12-11-25(35)33(24)36)29-18-21(14-15-37-29)23-9-8-22(19-28(23)40-27)39-34(47)49-17-16-48-2/h8-15,18-20,26-27,40H,3-7,16-17H2,1-2H3,(H,39,47)(H,41,46)/b13-10+/t26-,27+/m0/s1
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938n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352328
PNG
(US9802939, I-258)
Show SMILES CNC(=O)[C@H]1CCCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2nc(c(C)[nH]2)-c2ccc(NC(=O)OC)cc2N1
Show InChI InChI=1S/C30H33ClN10O4/c1-17-27-21-11-10-20(35-30(44)45-3)15-24(21)36-23(29(43)32-2)7-5-4-6-22(28(34-17)38-27)37-26(42)13-8-18-14-19(31)9-12-25(18)41-16-33-39-40-41/h8-16,22-23,36H,4-7H2,1-3H3,(H,32,43)(H,34,38)(H,35,44)(H,37,42)/b13-8+/t22-,23+/m0/s1
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947n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142868
PNG
(US10487086, Example 136 | US8940720, 136 | US98029...)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)c1ccc(cc1)C#N
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962n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142863
PNG
(US10487086, Example 89 | US8940720, 89 | US9802939...)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CC\C=C\CC(NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3cc(Cl)nnc-23)c1
Show InChI InChI=1S/C29H25Cl2N9O4/c1-44-29(43)33-19-9-10-20-23(14-19)35-26(41)6-4-2-3-5-22(21-15-25(31)36-37-28(20)21)34-27(42)12-7-17-13-18(30)8-11-24(17)40-16-32-38-39-40/h2-3,7-16,22H,4-6H2,1H3,(H,33,43)(H,34,42)(H,35,41)/b3-2+,12-7+
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1.06E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352306
PNG
(US9802939, I-99)
Show SMILES CCCn1ccc(n1)[C@@H]1CCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2nc(c[nH]2)-c2ccc(NC(=O)OC)cc2N[C@H]1CO
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1.32E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352322
PNG
(US9802939, I-153)
Show SMILES CC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)c1ccc2[C@@H](N)CCCc2c1
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1.65E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142884
PNG
(US10487086, Example I-270 | US8940720, I-270 | US9...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(F)(F)C(=O)c2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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1.75E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352290
PNG
(US9802939, I-9)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\CC(=O)Nc2c1)NC(=O)c1cc(no1)-c1cccc(Cl)c1
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1.87E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352324
PNG
(US9802939, I-211)
Show SMILES CC1C\C=C\C[C@H](NC(=O)\C=C/c2cc(Cl)ccc2-n2cnnn2)c2nc(c[nH]2)-c2ccc(NC(C)=O)cc2N1
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2.17E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352293
PNG
(US9802939, I-14)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\CC(=O)Nc2c1)NC(=O)c1ccc2ncccc2c1
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2.92E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352319
PNG
(US9802939, I-137)
Show SMILES COC(=O)Nc1cc2NC(=O)[C@@H](C)CCC[C@H](NC(=O)c3c(F)cc4n(C)cnc4c3F)c3nc(c(Cl)[nH]3)-c2cc1Cl
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2.98E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352269
PNG
((E)-3-(5-Chloro-2-tetrazol-1-yl-phenyl)-N-(E)-(S)-...)
Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@H]2C\C=C\CCOc3ccccc3-c3c[nH]c2n3)c1)-n1cnnn1
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2.98E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352305
PNG
(US9802939, I-94)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC[C@H]([C@H](CO)Nc2c1)c1nn(C)cc1Cl)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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3.85E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352310
PNG
(US9802939, I-108)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCN(C(C)=O)C(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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3.87E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142928
PNG
(US10487086, Example II-15 | US8940720, II-15 | US9...)
Show SMILES COC(=O)Nc1ccc-2c(NC(CCCC[C@H](NC(=O)c3ccc(cc3)C(N)=N)c3cc-2ccn3)C(F)(F)F)c1
Show InChI InChI=1S/C28H29F3N6O3/c1-40-27(39)35-19-10-11-20-18-12-13-34-23(14-18)21(37-26(38)17-8-6-16(7-9-17)25(32)33)4-2-3-5-24(28(29,30)31)36-22(20)15-19/h6-15,21,24,36H,2-5H2,1H3,(H3,32,33)(H,35,39)(H,37,38)/t21-,24?/m0/s1
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4.16E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142862
PNG
(US10487086, Example 21 | US8940720, 21 | US9802939...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CNC(=O)C(F)(F)CNc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
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4.52E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352323
PNG
(US9802939, I-183)
Show SMILES CN(C)CCOC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C/CCC(=O)Nc2c1)NC(=O)c1c(F)cc(C)cc1F
Show InChI InChI=1S/C29H31ClF2N6O4/c1-16-13-19(31)24(20(32)14-16)28(40)35-21-7-5-4-6-8-23(39)34-22-15-17(33-29(41)42-12-11-38(2)3)9-10-18(22)25-26(30)37-27(21)36-25/h4-5,9-10,13-15,21H,6-8,11-12H2,1-3H3,(H,33,41)(H,34,39)(H,35,40)(H,36,37)/b5-4-/t21-/m0/s1
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4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352270
PNG
(2 TFA Salt | US9802939, 3)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@H]1C\C=C\CCCCc2ccccc2-c2c[nH]c1n2
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6.17E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9802939 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q37
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%