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Found 330 hits of Enz. Inhib. data with enzyme = 'Coagulation factor XI' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor XI


(Homo sapiens (Human))
BDBM241371
PNG
(US9409908, 3 | US9951071, Example 3)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C#N)c3cc-2ccn3)c1
Show InChI InChI=1/C32H29ClFN5O4/c1-18-4-3-5-27(39-13-11-20(15-28(39)40)29-21(17-35)6-9-24(33)30(29)34)26-14-19(10-12-36-26)23-8-7-22(37-32(42)43-2)16-25(23)38-31(18)41/h6-10,12,14-16,18,27H,3-5,11,13H2,1-2H3,(H,37,42)(H,38,41)/t18-,27+/s2
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0.0300n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241399
PNG
(US9409908, 31 | US9951071, Example 31)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3OC(F)F)c3ccnc-2c3)c1
Show InChI InChI=1/C32H30ClF3N4O5/c1-17-4-3-5-25(40-13-11-19(15-27(40)41)28-26(45-31(35)36)9-8-22(33)29(28)34)18-10-12-37-23(14-18)21-7-6-20(38-32(43)44-2)16-24(21)39-30(17)42/h6-10,12,14-17,25,31H,3-5,11,13H2,1-2H3,(H,38,43)(H,39,42)/t17-,25+/s2
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0.0400n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241566
PNG
(US9409908, 198 | US9951071, Example 198)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2cc(C(O)=O)c(N)cc2NC1=O
Show InChI InChI=1/C30H27ClF2N4O4/c1-15-3-2-4-25(37-10-8-17(12-26(37)38)27-21(32)6-5-20(31)28(27)33)24-11-16(7-9-35-24)18-13-19(30(40)41)22(34)14-23(18)36-29(15)39/h5-7,9,11-15,25H,2-4,8,10,34H2,1H3,(H,36,39)(H,40,41)/t15-,25+/s2
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<0.0500n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241552
PNG
(US9409908, 184 | US9951071, Example 184)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2cc(F)ccc2NC1=O
Show InChI InChI=1/C30H26ClF2N7O2/c1-17-3-2-4-25(24-13-18(9-11-34-24)21-15-20(32)5-7-23(21)36-30(17)42)39-12-10-19(14-27(39)41)28-26(40-16-35-37-38-40)8-6-22(31)29(28)33/h5-9,11,13-17,25H,2-4,10,12H2,1H3,(H,36,42)/t17-,25+/s2
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<0.0500n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241503
PNG
(US9409908, 135 | US9951071, Example 135)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCC[C@@H](C)C(=O)Nc2c1)N1CCC(=CC1=O)c1c(F)ccc(Cl)c1F
Show InChI InChI=1/C29H27Cl2F2N5O4/c1-14-4-3-5-21(38-11-10-15(12-22(38)39)23-19(32)9-8-18(30)24(23)33)27-36-25(26(31)37-27)17-7-6-16(34-29(41)42-2)13-20(17)35-28(14)40/h6-9,12-14,21H,3-5,10-11H2,1-2H3,(H,34,41)(H,35,40)(H,36,37)/t14-,21+/s2
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0.0500n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241567
PNG
(US9409908, 199 | US9951071, Example 199)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2cc3c(O)cc(=O)[nH]c3cc2NC1=O
Show InChI InChI=1/C32H27ClF2N4O4/c1-16-3-2-4-26(39-10-8-18(12-29(39)42)30-22(34)6-5-21(33)31(30)35)25-11-17(7-9-36-25)19-13-20-24(14-23(19)38-32(16)43)37-28(41)15-27(20)40/h5-7,9,11-16,26H,2-4,8,10H2,1H3,(H,38,43)(H2,37,40,41)/t16-,26+/s2
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<0.0500n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241436
PNG
(US9409908, 68 | US9951071, Example 68)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccccc2NC1=O
Show InChI InChI=1/C30H27ClFN7O2/c1-18-5-4-8-25(24-15-19(11-13-33-24)21-6-2-3-7-23(21)35-30(18)41)38-14-12-20(16-27(38)40)28-26(39-17-34-36-37-39)10-9-22(31)29(28)32/h2-3,6-7,9-11,13,15-18,25H,4-5,8,12,14H2,1H3,(H,35,41)/t18-,25+/s2
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0.0500n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241400
PNG
(US9409908, 32 | US9951071, Example 32)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3OC(F)F)c3cc-2ccn3)c1
Show InChI InChI=1/C32H30ClF3N4O5/c1-17-4-3-5-25(40-13-11-19(15-27(40)41)28-26(45-31(35)36)9-8-22(33)29(28)34)24-14-18(10-12-37-24)21-7-6-20(38-32(43)44-2)16-23(21)39-30(17)42/h6-10,12,14-17,25,31H,3-5,11,13H2,1-2H3,(H,38,43)(H,39,42)/t17-,25+/s2
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0.0600n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241451
PNG
(US9409908, 83 | US9951071, Example 83)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2cc3c(C(O)=O)c(C)[nH]c3cc2NC1=O
Show InChI InChI=1/C33H29ClF2N4O4/c1-16-4-3-5-27(40-11-9-19(13-28(40)41)30-23(35)7-6-22(34)31(30)36)26-12-18(8-10-37-26)20-14-21-25(15-24(20)39-32(16)42)38-17(2)29(21)33(43)44/h6-8,10,12-16,27,38H,3-5,9,11H2,1-2H3,(H,39,42)(H,43,44)/t16-,27+/s2
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0.0600n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241583
PNG
(US9409908, 215 | US9951071, Example 215)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2cc(F)c(F)cc2NC1=O
Show InChI InChI=1/C30H25ClF3N7O2/c1-16-3-2-4-25(24-11-17(7-9-35-24)19-13-21(32)22(33)14-23(19)37-30(16)43)40-10-8-18(12-27(40)42)28-26(41-15-36-38-39-41)6-5-20(31)29(28)34/h5-7,9,11-16,25H,2-4,8,10H2,1H3,(H,37,43)/t16-,25+/s2
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0.0700n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241421
PNG
(US9409908, 53 | US9951071, Example 53)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2ccc(NC(=O)OCCOC(C)(C)C)cc2NC1=O
Show InChI InChI=1/C36H39ClF2N4O5/c1-21-6-5-7-30(43-15-13-23(19-31(43)44)32-27(38)11-10-26(37)33(32)39)29-18-22(12-14-40-29)25-9-8-24(20-28(25)42-34(21)45)41-35(46)47-16-17-48-36(2,3)4/h8-12,14,18-21,30H,5-7,13,15-17H2,1-4H3,(H,41,46)(H,42,45)/t21-,30+/s2
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0.0800n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241422
PNG
(US9409908, 54 | US9951071, Example 54)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2ccc(NC(=O)OCCO)cc2NC1=O
Show InChI InChI=1/C32H31ClF2N4O5/c1-18-3-2-4-27(39-12-10-20(16-28(39)41)29-24(34)8-7-23(33)30(29)35)26-15-19(9-11-36-26)22-6-5-21(17-25(22)38-31(18)42)37-32(43)44-14-13-40/h5-9,11,15-18,27,40H,2-4,10,12-14H2,1H3,(H,37,43)(H,38,42)/t18-,27+/s2
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0.0800n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241404
PNG
(US9409908, 36 | US9951071, Example 36)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3cc(Cl)ccc3C(F)(F)F)c3cc-2ccn3)c1
Show InChI InChI=1/C32H30ClF3N4O4/c1-18-4-3-5-28(40-13-11-20(15-29(40)41)24-16-21(33)6-9-25(24)32(34,35)36)27-14-19(10-12-37-27)23-8-7-22(38-31(43)44-2)17-26(23)39-30(18)42/h6-10,12,14-18,28H,3-5,11,13H2,1-2H3,(H,38,43)(H,39,42)/t18-,28+/s2
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0.0900n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241394
PNG
(US9409908, 26 | US9951071, Example 26)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C#N)c3cc-2cc(OC)n3)c1
Show InChI InChI=1/C33H31ClFN5O5/c1-18-5-4-6-27(40-12-11-19(15-29(40)41)30-20(17-36)7-10-24(34)31(30)35)26-13-21(14-28(38-26)44-2)23-9-8-22(37-33(43)45-3)16-25(23)39-32(18)42/h7-10,13-16,18,27H,4-6,11-12H2,1-3H3,(H,37,43)(H,39,42)/t18-,27+/s2
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0.0900n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241472
PNG
(US9409908, 104 | US9951071, Example 104)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(C)ccc3C#N)c3cc-2ccn3)c1
Show InChI InChI=1/C33H32FN5O4/c1-19-7-8-23(18-35)30(31(19)34)22-12-14-39(29(40)16-22)28-6-4-5-20(2)32(41)38-26-17-24(37-33(42)43-3)9-10-25(26)21-11-13-36-27(28)15-21/h7-11,13,15-17,20,28H,4-6,12,14H2,1-3H3,(H,37,42)(H,38,41)/t20-,28+/s2
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0.0900n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241468
PNG
(US9409908, 100 | US9951071, Example 100)
Show SMILES CC(C)[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccccc2NC1=O
Show InChI InChI=1/C32H31ClFN7O2/c1-19(2)22-7-5-9-27(26-16-20(12-14-35-26)23-6-3-4-8-25(23)37-32(22)43)40-15-13-21(17-29(40)42)30-28(41-18-36-38-39-41)11-10-24(33)31(30)34/h3-4,6,8,10-12,14,16-19,22,27H,5,7,9,13,15H2,1-2H3,(H,37,43)/t22-,27-/s2
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0.0900n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241549
PNG
(US9409908, 181 | US9951071, Example 181)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C#C)c3cc-2ccn3)c1
Show InChI InChI=1/C33H30ClFN4O4/c1-4-20-8-11-25(34)31(35)30(20)22-13-15-39(29(40)17-22)28-7-5-6-19(2)32(41)38-26-18-23(37-33(42)43-3)9-10-24(26)21-12-14-36-27(28)16-21/h1,8-12,14,16-19,28H,5-7,13,15H2,2-3H3,(H,37,42)(H,38,41)/t19-,28+/s2
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0.100n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM247417
PNG
(US10336754, Example 371 | US9453018, 370 | US94530...)
Show SMILES C[C@@H]1CCC[C@@H](c2ccnc(c2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F
Show InChI InChI=1/C29H25ClF3N9O2/c1-16-4-3-5-23(17-8-9-34-21(10-17)27-22(37-28(16)44)13-36-40(27)2)41-15-35-20(12-26(41)43)19-11-18(30)6-7-24(19)42-14-25(38-39-42)29(31,32)33/h6-16,23H,3-5H2,1-2H3,(H,37,44)/t16-,23+/s2
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0.100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US10336754 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241393
PNG
(US9409908, 25 | US9951071, Example 25)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C(F)(F)F)c3cc-2ccn3)c1
Show InChI InChI=1/C32H29ClF4N4O4/c1-17-4-3-5-26(41-13-11-19(15-27(41)42)28-22(32(35,36)37)8-9-23(33)29(28)34)25-14-18(10-12-38-25)21-7-6-20(39-31(44)45-2)16-24(21)40-30(17)43/h6-10,12,14-17,26H,3-5,11,13H2,1-2H3,(H,39,44)(H,40,43)/t17-,26+/s2
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0.100n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM247417
PNG
(US10336754, Example 371 | US9453018, 370 | US94530...)
Show SMILES C[C@@H]1CCC[C@@H](c2ccnc(c2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F
Show InChI InChI=1/C29H25ClF3N9O2/c1-16-4-3-5-23(17-8-9-34-21(10-17)27-22(37-28(16)44)13-36-40(27)2)41-15-35-20(12-26(41)43)19-11-18(30)6-7-24(19)42-14-25(38-39-42)29(31,32)33/h6-16,23H,3-5H2,1-2H3,(H,37,44)/t16-,23+/s2
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0.100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US10336754 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM247416
PNG
(US10336754, Example 369 | US9453018, 369)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F
Show InChI InChI=1/C29H23ClF5N9O2/c1-15-3-2-4-23(20-9-16(7-8-36-20)26-21(39-27(15)46)12-38-44(26)28(31)32)42-14-37-19(11-25(42)45)18-10-17(30)5-6-22(18)43-13-24(40-41-43)29(33,34)35/h5-15,23,28H,2-4H2,1H3,(H,39,46)/t15-,23+/s2
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0.100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US10336754 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM247414
PNG
(US10336754, Example 368 | US9453018, 367 | US94530...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F
Show InChI InChI=1/C29H25ClF3N9O2/c1-16-4-3-5-24(21-10-17(8-9-34-21)27-22(37-28(16)44)13-36-40(27)2)41-15-35-20(12-26(41)43)19-11-18(30)6-7-23(19)42-14-25(38-39-42)29(31,32)33/h6-16,24H,3-5H2,1-2H3,(H,37,44)/t16-,24+/s2
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0.100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US10336754 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM247414
PNG
(US10336754, Example 368 | US9453018, 367 | US94530...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F
Show InChI InChI=1/C29H25ClF3N9O2/c1-16-4-3-5-24(21-10-17(8-9-34-21)27-22(37-28(16)44)13-36-40(27)2)41-15-35-20(12-26(41)43)19-11-18(30)6-7-23(19)42-14-25(38-39-42)29(31,32)33/h6-16,24H,3-5H2,1-2H3,(H,37,44)/t16-,24+/s2
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0.100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US10336754 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM247411
PNG
(US10336754, Example 353 | US9453018, 353)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1
Show InChI InChI=1/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/s2
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0.100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US10336754 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241550
PNG
(US9409908, 182 | US9951071, Example 182)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3-c3c[nH]nn3)c3cc-2ccn3)c1
Show InChI InChI=1/C33H31ClFN7O4/c1-18-4-3-5-28(26-14-19(10-12-36-26)22-7-6-21(38-33(45)46-2)16-25(22)39-32(18)44)42-13-11-20(15-29(42)43)30-23(27-17-37-41-40-27)8-9-24(34)31(30)35/h6-10,12,14-18,28H,3-5,11,13H2,1-2H3,(H,38,45)(H,39,44)(H,37,40,41)/t18-,28+/s2
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0.110n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241412
PNG
(US9409908, 44 | US9951071, Example 44)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3cc(Cl)ccc3OC(F)F)c3cc-2ccn3)c1
Show InChI InChI=1/C32H31ClF2N4O5/c1-18-4-3-5-27(39-13-11-20(15-29(39)40)24-16-21(33)6-9-28(24)44-31(34)35)26-14-19(10-12-36-26)23-8-7-22(37-32(42)43-2)17-25(23)38-30(18)41/h6-10,12,14-18,27,31H,3-5,11,13H2,1-2H3,(H,37,42)(H,38,41)/t18-,27+/s2
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0.130n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241470
PNG
(US9409908, 102 | US9951071, Example 102)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C#N)c3ccnc-2c3)c1
Show InChI InChI=1/C32H29ClFN5O4/c1-18-4-3-5-27(39-13-11-20(15-28(39)40)29-21(17-35)6-9-24(33)30(29)34)19-10-12-36-25(14-19)23-8-7-22(37-32(42)43-2)16-26(23)38-31(18)41/h6-10,12,14-16,18,27H,3-5,11,13H2,1-2H3,(H,37,42)(H,38,41)/t18-,27+/s2
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0.150n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241539
PNG
(US9409908, 171 | US9951071, Example 171)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C(C)=O)c3cccc-2c3)c1
Show InChI InChI=1/C34H33ClFN3O5/c1-19-6-4-9-29(39-15-14-23(17-30(39)41)31-25(20(2)40)12-13-27(35)32(31)36)22-8-5-7-21(16-22)26-11-10-24(37-34(43)44-3)18-28(26)38-33(19)42/h5,7-8,10-13,16-19,29H,4,6,9,14-15H2,1-3H3,(H,37,43)(H,38,42)/t19-,29+/s2
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0.170n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM390162
PNG
(Methyl N-[(10S,14S)-14-[4-(3-chloro-2,6-difluoroph...)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)C(F)CC[C@H](N3CCC(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1
Show InChI InChI=1S/C31H28ClF3N4O4/c1-16-22(33)7-8-26(39-12-10-18(14-27(39)40)28-23(34)6-5-21(32)29(28)35)25-13-17(9-11-36-25)20-4-3-19(37-31(42)43-2)15-24(20)38-30(16)41/h3-6,9,11,13-16,22,26H,7-8,10,12H2,1-2H3,(H,37,42)(H,38,41)/t16-,22?,26+/m1/s1
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0.180n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM247419
PNG
(US10336754, Example 373 | US9453018, 373)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(O)=O
Show InChI InChI=1/C29H26ClN9O4/c1-16-4-3-5-25(21-10-17(8-9-31-21)27-22(34-28(16)41)13-33-37(27)2)38-15-32-20(12-26(38)40)19-11-18(30)6-7-24(19)39-14-23(29(42)43)35-36-39/h6-16,25H,3-5H2,1-2H3,(H,34,41)(H,42,43)/t16-,25+/s2
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US10336754 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241528
PNG
(US9409908, 160 | US9951071, Example 160)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C)[C@H](CCC[C@@H](C)C(=O)Nc2c1)N1CCC(=CC1=O)c1c(F)ccc(Cl)c1F
Show InChI InChI=1/C30H30ClF2N5O4/c1-15-5-4-6-23(38-12-11-17(13-24(38)39)25-21(32)10-9-20(31)26(25)33)28-34-16(2)27(37-28)19-8-7-18(35-30(41)42-3)14-22(19)36-29(15)40/h7-10,13-15,23H,4-6,11-12H2,1-3H3,(H,34,37)(H,35,41)(H,36,40)/t15-,23+/s2
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0.200n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM247413
PNG
(US10336754, Example 363 | US9453018, 362 | US94530...)
Show SMILES C[C@@H]1CCC[C@@H](c2ccnc(c2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1
Show InChI InChI=1/C28H25Cl2N9O2/c1-16-4-3-5-23(17-8-9-31-21(10-17)27-22(34-28(16)41)13-33-37(27)2)38-15-32-20(12-26(38)40)19-11-18(29)6-7-24(19)39-14-25(30)35-36-39/h6-16,23H,3-5H2,1-2H3,(H,34,41)/t16-,23+/s2
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US10336754 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM247413
PNG
(US10336754, Example 363 | US9453018, 362 | US94530...)
Show SMILES C[C@@H]1CCC[C@@H](c2ccnc(c2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1
Show InChI InChI=1/C28H25Cl2N9O2/c1-16-4-3-5-23(17-8-9-31-21(10-17)27-22(34-28(16)41)13-33-37(27)2)38-15-32-20(12-26(38)40)19-11-18(29)6-7-24(19)39-14-25(30)35-36-39/h6-16,23H,3-5H2,1-2H3,(H,34,41)/t16-,23+/s2
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US10336754 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM247418
PNG
(US10336754, Example 372 | US9453018, 372)
Show SMILES C[C@@H]1CCC[C@@H](c2ccnc(c2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(O)=O
Show InChI InChI=1/C29H26ClN9O4/c1-16-4-3-5-24(17-8-9-31-21(10-17)27-22(34-28(16)41)13-33-37(27)2)38-15-32-20(12-26(38)40)19-11-18(30)6-7-25(19)39-14-23(29(42)43)35-36-39/h6-16,24H,3-5H2,1-2H3,(H,34,41)(H,42,43)/t16-,24+/s2
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US10336754 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241398
PNG
(US9409908, 30 | US9951071, Example 30)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C#N)c3cc-2cc(=O)[nH]3)c1
Show InChI InChI=1/C32H29ClFN5O5/c1-17-4-3-5-26(39-11-10-18(14-28(39)41)29-19(16-35)6-9-23(33)30(29)34)25-12-20(13-27(40)37-25)22-8-7-21(36-32(43)44-2)15-24(22)38-31(17)42/h6-9,12-15,17,26H,3-5,10-11H2,1-2H3,(H,36,43)(H,37,40)(H,38,42)/t17-,26+/s2
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0.210n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241370
PNG
(US9409908, 2 | US9951071, Example 2)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(C)ccc(Cl)c3F)c3cc-2ccn3)c1
Show InChI InChI=1/C32H32ClFN4O4/c1-18-7-10-24(33)30(34)29(18)21-12-14-38(28(39)16-21)27-6-4-5-19(2)31(40)37-25-17-22(36-32(41)42-3)8-9-23(25)20-11-13-35-26(27)15-20/h7-11,13,15-17,19,27H,4-6,12,14H2,1-3H3,(H,36,41)(H,37,40)/t19-,27+/s2
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0.230n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241559
PNG
(US9409908, 191 | US9951071, Example 191)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C(C)=O)c3cc(F)cc-2c3)c1
Show InChI InChI=1/C34H32ClF2N3O5/c1-18-5-4-6-29(40-12-11-20(16-30(40)42)31-25(19(2)41)9-10-27(35)32(31)37)22-13-21(14-23(36)15-22)26-8-7-24(38-34(44)45-3)17-28(26)39-33(18)43/h7-10,13-18,29H,4-6,11-12H2,1-3H3,(H,38,44)(H,39,43)/t18-,29+/s2
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0.230n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241558
PNG
(US9409908, 190 | US9951071, Example 190)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)ccc(Br)c3F)c3cc-2ccn3)c1
Show InChI InChI=1/C31H29BrF2N4O4/c1-17-4-3-5-26(38-13-11-19(15-27(38)39)28-23(33)9-8-22(32)29(28)34)25-14-18(10-12-35-25)21-7-6-20(36-31(41)42-2)16-24(21)37-30(17)40/h6-10,12,14-17,26H,3-5,11,13H2,1-2H3,(H,36,41)(H,37,40)/t17-,26+/s2
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0.270n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241449
PNG
(US9409908, 81 | US9951071, Example 81)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2cc3ccc(=O)[nH]c3cc2NC1=O
Show InChI InChI=1/C32H27ClF2N4O3/c1-17-3-2-4-27(39-12-10-20(15-29(39)41)30-23(34)7-6-22(33)31(30)35)26-14-18(9-11-36-26)21-13-19-5-8-28(40)37-24(19)16-25(21)38-32(17)42/h5-9,11,13-17,27H,2-4,10,12H2,1H3,(H,37,40)(H,38,42)/t17-,27+/s2
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0.310n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241411
PNG
(US9409908, 43 | US9951071, Example 43)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(Br)ccc(C)c3F)c3cc-2ccn3)c1
Show InChI InChI=1/C32H32BrFN4O4/c1-18-7-10-24(33)29(30(18)34)21-12-14-38(28(39)16-21)27-6-4-5-19(2)31(40)37-25-17-22(36-32(41)42-3)8-9-23(25)20-11-13-35-26(27)15-20/h7-11,13,15-17,19,27H,4-6,12,14H2,1-3H3,(H,36,41)(H,37,40)/t19-,27+/s2
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0.380n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241541
PNG
(US9409908, 173 | US9951071, Example 173)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C#N)c3cccc-2c3)c1
Show InChI InChI=1/C33H30ClFN4O4/c1-19-5-3-8-28(39-14-13-22(16-29(39)40)30-23(18-36)9-12-26(34)31(30)35)21-7-4-6-20(15-21)25-11-10-24(37-33(42)43-2)17-27(25)38-32(19)41/h4,6-7,9-12,15-17,19,28H,3,5,8,13-14H2,1-2H3,(H,37,42)(H,38,41)/t19-,28+/s2
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0.420n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241555
PNG
(US9409908, 187 | US9951071, Example 187)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2C(F)(F)F)c2cc(ccn2)-c2cc(ccc2NC1=O)C(O)=O
Show InChI InChI=1/C31H26ClF4N3O4/c1-16-3-2-4-25(24-14-17(9-11-37-24)20-13-19(30(42)43)5-8-23(20)38-29(16)41)39-12-10-18(15-26(39)40)27-21(31(34,35)36)6-7-22(32)28(27)33/h5-9,11,13-16,25H,2-4,10,12H2,1H3,(H,38,41)(H,42,43)/t16-,25+/s2
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0.440n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241410
PNG
(US9409908, 42 | US9951071, Example 42)
Show SMILES CCOC(=O)Cc1nnc(Nc2ccc-3c(NC(=O)[C@H](C)CCC[C@H](N4CCC(=CC4=O)c4c(F)ccc(Cl)c4F)c4cc-3ccn4)c2)o1
Show InChI InChI=1/C35H33ClF2N6O5/c1-3-48-31(46)18-29-42-43-35(49-29)40-22-7-8-23-20-11-13-39-27(15-20)28(6-4-5-19(2)34(47)41-26(23)17-22)44-14-12-21(16-30(44)45)32-25(37)10-9-24(36)33(32)38/h7-11,13,15-17,19,28H,3-6,12,14,18H2,1-2H3,(H,40,43)(H,41,47)/t19-,28+/s2
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0.450n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241389
PNG
(US9409908, 21 | US9951071, Example 21)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2ccc(Nc3nnc(C)o3)cc2NC1=O
Show InChI InChI=1/C32H29ClF2N6O3/c1-17-4-3-5-27(41-13-11-20(15-28(41)42)29-24(34)9-8-23(33)30(29)35)26-14-19(10-12-36-26)22-7-6-21(16-25(22)38-31(17)43)37-32-40-39-18(2)44-32/h6-10,12,14-17,27H,3-5,11,13H2,1-2H3,(H,37,40)(H,38,43)/t17-,27+/s2
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0.460n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241563
PNG
(US9409908, 195 | US9951071, Example 195)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2ccc(Nc3cccnc3)cc2NC1=O
Show InChI InChI=1/C34H30ClF2N5O2/c1-20-4-2-6-30(42-15-12-22(17-31(42)43)32-27(36)10-9-26(35)33(32)37)29-16-21(11-14-39-29)25-8-7-23(18-28(25)41-34(20)44)40-24-5-3-13-38-19-24/h3,5,7-11,13-14,16-20,30,40H,2,4,6,12,15H2,1H3,(H,41,44)/t20-,30+/s2
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0.470n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241447
PNG
(US9409908, 79 | US9951071, Example 79)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@@H](c3cc-2ccn3)n2ncc(cc2=O)-c2c(F)c(Cl)ccc2C#N)c1
Show InChI InChI=1/C31H26ClFN6O4/c1-17-4-3-5-26(39-27(40)13-20(16-36-39)28-19(15-34)6-9-23(32)29(28)33)25-12-18(10-11-35-25)22-8-7-21(37-31(42)43-2)14-24(22)38-30(17)41/h6-14,16-17,26H,3-5H2,1-2H3,(H,37,42)(H,38,41)/t17-,26+/s2
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0.550n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241459
PNG
(US9409908, 91 | US9951071, Example 91)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2ccc(N)cc2NC1=O)n1ccc(cc1=O)-c1c(F)ccc(Cl)c1F
Show InChI InChI=1/C29H25ClF2N4O2/c1-16-3-2-4-25(36-12-10-18(14-26(36)37)27-22(31)8-7-21(30)28(27)32)24-13-17(9-11-34-24)20-6-5-19(33)15-23(20)35-29(16)38/h5-16,25H,2-4,33H2,1H3,(H,35,38)/t16-,25+/s2
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0.560n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241460
PNG
(US9409908, 92 | US9951071, Example 92)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2ccc(Nc3ncccn3)cc2NC1=O)n1ccc(cc1=O)-c1c(F)ccc(Cl)c1F
Show InChI InChI=1/C33H27ClF2N6O2/c1-19-4-2-5-28(42-15-11-21(17-29(42)43)30-25(35)9-8-24(34)31(30)36)27-16-20(10-14-37-27)23-7-6-22(18-26(23)41-32(19)44)40-33-38-12-3-13-39-33/h3,6-19,28H,2,4-5H2,1H3,(H,41,44)(H,38,39,40)/t19-,28+/s2
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0.560n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241529
PNG
(US9409908, 161 | US9951071, Example 161)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3Br)c3cccc-2c3)c1
Show InChI InChI=1/C32H30BrClFN3O4/c1-18-5-3-8-27(38-14-13-21(16-28(38)39)29-24(33)11-12-25(34)30(29)35)20-7-4-6-19(15-20)23-10-9-22(36-32(41)42-2)17-26(23)37-31(18)40/h4,6-7,9-12,15-18,27H,3,5,8,13-14H2,1-2H3,(H,36,41)(H,37,40)/t18-,27+/s2
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0.590n/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 US9951071 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM247412
PNG
(US10336754, Example 354 | US9453018, 354)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2nn(cc2NC1=O)-c1cccnc1)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1
Show InChI InChI=1/C32H26Cl2N10O2/c1-19-4-2-6-28(42-18-37-24(14-30(42)45)23-13-21(33)7-8-27(23)44-17-29(34)39-41-44)25-12-20(9-11-36-25)31-26(38-32(19)46)16-43(40-31)22-5-3-10-35-15-22/h3,5,7-19,28H,2,4,6H2,1H3,(H,38,46)/t19-,28+/s2
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0.600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US10336754 (2019)

More data for this
Ligand-Target Pair
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