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Patent code US10047103

Compile Data Set for Download or QSAR

Found 384 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
Prothrombin


(Homo sapiens (Human))
BDBM176047
PNG
(US10047103, 80 | US9688695, 80)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(Cl)nc3)cc(OC)cc2o1
Show InChI InChI=1S/C23H16ClN5O4S2/c1-30-14-5-17(32-10-13-11-34-21(26-13)12-3-4-20(24)25-8-12)15-7-19(33-18(15)6-14)16-9-29-22(27-16)35-23(28-29)31-2/h3-9,11H,10H2,1-2H3
PDB

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n/an/a 0.940n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176041
PNG
(US10047103, 74 | US9688695, 74)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(C)nc3)cc(OC)cc2o1
Show InChI InChI=1S/C24H19N5O4S2/c1-13-4-5-14(9-25-13)22-26-15(12-34-22)11-32-19-6-16(30-2)7-20-17(19)8-21(33-20)18-10-29-23(27-18)35-24(28-29)31-3/h4-10,12H,11H2,1-3H3
PDB

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n/an/a 0.960n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176255
PNG
(US10047103, 288 | US9688695, 288)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N(C)CC#N)cc(OC)cc2o1
Show InChI InChI=1S/C28H22N6O5S2/c1-33(9-8-29)26(35)17-6-4-16(5-7-17)25-30-18(15-40-25)14-38-22-10-19(36-2)11-23-20(22)12-24(39-23)21-13-34-27(31-21)41-28(32-34)37-3/h4-7,10-13,15H,9,14H2,1-3H3
PDB

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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176015
PNG
(US10047103, 48 | US9688695, 48)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)-c3ccc(cc3)C(=O)N(C)CC#N)cc(OC)cc2o1
Show InChI InChI=1S/C29H24N6O5S2/c1-16-22(31-26(41-16)17-5-7-18(8-6-17)27(36)34(2)10-9-30)15-39-23-11-19(37-3)12-24-20(23)13-25(40-24)21-14-35-28(32-21)42-29(33-35)38-4/h5-8,11-14H,10,15H2,1-4H3
PDB

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n/an/a 1.20n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176048
PNG
(US10047103, 81 | US9688695, 81)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)S(C)(=O)=O)cc(OC)cc2o1
Show InChI InChI=1S/C25H20N4O6S3/c1-32-16-8-20(34-12-15-13-36-23(26-15)14-4-6-17(7-5-14)38(3,30)31)18-10-22(35-21(18)9-16)19-11-29-24(27-19)37-25(28-29)33-2/h4-11,13H,12H2,1-3H3
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n/an/a 1.60n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM175995
PNG
(US10047103, 75 | US9688695, 28 | US9688695, 75)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccncc3)cc(OC)cc2o1
Show InChI InChI=1S/C23H17N5O4S2/c1-29-15-7-18(31-11-14-12-33-21(25-14)13-3-5-24-6-4-13)16-9-20(32-19(16)8-15)17-10-28-22(26-17)34-23(27-28)30-2/h3-10,12H,11H2,1-2H3
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n/an/a 1.60n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176093
PNG
(US10047103, 126 | US9688695, 126 | US9688695, 127)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(O)CCC4(CC3)OCCO4)cc(OC)cc2o1
Show InChI InChI=1S/C26H26N4O7S2/c1-32-16-9-19(17-11-21(37-20(17)10-16)18-12-30-23(28-18)39-24(29-30)33-2)34-13-15-14-38-22(27-15)25(31)3-5-26(6-4-25)35-7-8-36-26/h9-12,14,31H,3-8,13H2,1-2H3
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n/an/a 1.90n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176044
PNG
(US10047103, 77 | US9688695, 77)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)-c3cccc(CO)c3)cc(OC)cc2o1
Show InChI InChI=1S/C26H22N4O5S2/c1-14-20(27-24(36-14)16-6-4-5-15(7-16)12-31)13-34-21-8-17(32-2)9-22-18(21)10-23(35-22)19-11-30-25(28-19)37-26(29-30)33-3/h4-11,31H,12-13H2,1-3H3
PDB

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n/an/a 1.90n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176040
PNG
(US10047103, 73 | US9688695, 73)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(F)nc3)cc(OC)cc2o1
Show InChI InChI=1S/C23H16FN5O4S2/c1-30-14-5-17(32-10-13-11-34-21(26-13)12-3-4-20(24)25-8-12)15-7-19(33-18(15)6-14)16-9-29-22(27-16)35-23(28-29)31-2/h3-9,11H,10H2,1-2H3
PDB

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n/an/a 1.90n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176268
PNG
(US10047103, 301 | US9688695, 301)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N3CCCC3)cc(OC)cc2o1
Show InChI InChI=1S/C29H25N5O5S2/c1-36-20-11-23(21-13-25(39-24(21)12-20)22-14-34-28(31-22)41-29(32-34)37-2)38-15-19-16-40-26(30-19)17-5-7-18(8-6-17)27(35)33-9-3-4-10-33/h5-8,11-14,16H,3-4,9-10,15H2,1-2H3
PDB

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n/an/a 1.90n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176011
PNG
(US10047103, 44 | US9688695, 44)
Show SMILES CCc1sc(nc1COc1cc(OC)cc2oc(cc12)-c1cn2nc(OC)sc2n1)-c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C29H27N5O5S2/c1-6-25-21(30-26(40-25)16-7-9-17(10-8-16)27(35)33(2)3)15-38-22-11-18(36-4)12-23-19(22)13-24(39-23)20-14-34-28(31-20)41-29(32-34)37-5/h7-14H,6,15H2,1-5H3
PDB

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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176272
PNG
(US10047103, 305 | US9688695, 305)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)NCC(F)(F)F)cc(OC)cc2o1
Show InChI InChI=1S/C27H20F3N5O5S2/c1-37-17-7-20(18-9-22(40-21(18)8-17)19-10-35-25(33-19)42-26(34-35)38-2)39-11-16-12-41-24(32-16)15-5-3-14(4-6-15)23(36)31-13-27(28,29)30/h3-10,12H,11,13H2,1-2H3,(H,31,36)
PDB

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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176278
PNG
(US10047103, 311 | US9688695, 311)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N(C)CCC#N)cc(OC)cc2o1
Show InChI InChI=1S/C29H24N6O5S2/c1-34(10-4-9-30)27(36)18-7-5-17(6-8-18)26-31-19(16-41-26)15-39-23-11-20(37-2)12-24-21(23)13-25(40-24)22-14-35-28(32-22)42-29(33-35)38-3/h5-8,11-14,16H,4,10,15H2,1-3H3
PDB

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Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176006
PNG
(US10047103, 39 | US9688695, 39)
Show SMILES COCCN(C)C(=O)c1ccc(cc1)-c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1
Show InChI InChI=1S/C29H27N5O6S2/c1-33(9-10-36-2)27(35)18-7-5-17(6-8-18)26-30-19(16-41-26)15-39-23-11-20(37-3)12-24-21(23)13-25(40-24)22-14-34-28(31-22)42-29(32-34)38-4/h5-8,11-14,16H,9-10,15H2,1-4H3
PDB

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n/an/a 2.10n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176003
PNG
(US10047103, 36 | US9688695, 36)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N(C)C)cc(OC)cc2o1
Show InChI InChI=1S/C27H23N5O5S2/c1-31(2)25(33)16-7-5-15(6-8-16)24-28-17(14-38-24)13-36-21-9-18(34-3)10-22-19(21)11-23(37-22)20-12-32-26(29-20)39-27(30-32)35-4/h5-12,14H,13H2,1-4H3
PDB

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n/an/a 2.10n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176034
PNG
(US10047103, 67 | US9688695, 67)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccnc(F)c3)cc(OC)cc2o1
Show InChI InChI=1S/C23H16FN5O4S2/c1-30-14-6-17(32-10-13-11-34-21(26-13)12-3-4-25-20(24)5-12)15-8-19(33-18(15)7-14)16-9-29-22(27-16)35-23(28-29)31-2/h3-9,11H,10H2,1-2H3
PDB

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n/an/a 2.20n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM175995
PNG
(US10047103, 75 | US9688695, 28 | US9688695, 75)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccncc3)cc(OC)cc2o1
Show InChI InChI=1S/C23H17N5O4S2/c1-29-15-7-18(31-11-14-12-33-21(25-14)13-3-5-24-6-4-13)16-9-20(32-19(16)8-15)17-10-28-22(26-17)34-23(27-28)30-2/h3-10,12H,11H2,1-2H3
PDB

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n/an/a 2.90n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM175985
PNG
(US10047103, 18 | US9688695, 18)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(OC)cc3)cc(OC)cc2o1
Show InChI InChI=1S/C25H20N4O5S2/c1-30-16-6-4-14(5-7-16)23-26-15(13-35-23)12-33-20-8-17(31-2)9-21-18(20)10-22(34-21)19-11-29-24(27-19)36-25(28-29)32-3/h4-11,13H,12H2,1-3H3
PDB

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n/an/a 3.60n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM175970
PNG
(US10047103, 3 | US9688695, 3)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccccc3)cc(OC)cc2o1
Show InChI InChI=1S/C24H18N4O4S2/c1-29-16-8-19(31-12-15-13-33-22(25-15)14-6-4-3-5-7-14)17-10-21(32-20(17)9-16)18-11-28-23(26-18)34-24(27-28)30-2/h3-11,13H,12H2,1-2H3
PDB

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n/an/a 4.70n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176092
PNG
(US10047103, 125 | US9688695, 125)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)C3(F)CCOCC3)cc(OC)cc2o1
Show InChI InChI=1S/C24H23FN4O5S2/c1-13-17(26-21(35-13)24(25)4-6-32-7-5-24)12-33-18-8-14(30-2)9-19-15(18)10-20(34-19)16-11-29-22(27-16)36-23(28-29)31-3/h8-11H,4-7,12H2,1-3H3
PDB

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n/an/a 5.70n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176061
PNG
(US10047103, 94 | US9688695, 94)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)N3CCOCC3)cc(OC)cc2o1
Show InChI InChI=1S/C23H23N5O5S2/c1-13-17(25-21(34-13)27-4-6-31-7-5-27)12-32-18-8-14(29-2)9-19-15(18)10-20(33-19)16-11-28-22(24-16)35-23(26-28)30-3/h8-11H,4-7,12H2,1-3H3
PDB

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n/an/a 7.60n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176023
PNG
(US10047103, 56 | US9688695, 56)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)N3CCCOCC3)cc(OC)cc2o1
Show InChI InChI=1S/C23H23N5O5S2/c1-29-15-8-18(32-12-14-13-34-21(24-14)27-4-3-6-31-7-5-27)16-10-20(33-19(16)9-15)17-11-28-22(25-17)35-23(26-28)30-2/h8-11,13H,3-7,12H2,1-2H3
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176176
PNG
(US10047103, 209 | US9688695, 209)
Show SMILES COc1cc(OCc2csc(n2)-c2ccc(Cl)cc2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
Show InChI InChI=1S/C26H19ClN4O3S/c1-15-3-8-25-29-21(12-31(25)30-15)24-11-20-22(9-19(32-2)10-23(20)34-24)33-13-18-14-35-26(28-18)16-4-6-17(27)7-5-16/h3-12,14H,13H2,1-2H3
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176104
PNG
(US10047103, 137 | US9688695, 137)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C(O)(c3ccccc3)C(F)(F)F)cc(OC)cc2o1
Show InChI InChI=1S/C26H19F3N4O5S2/c1-35-16-8-19(17-10-21(38-20(17)9-16)18-11-33-23(31-18)40-24(32-33)36-2)37-12-15-13-39-22(30-15)25(34,26(27,28)29)14-6-4-3-5-7-14/h3-11,13,34H,12H2,1-2H3
PDB

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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176108
PNG
(US10047103, 141 | US9688695, 141)
Show SMILES CCC(F)(CC)c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1
Show InChI InChI=1S/C23H23FN4O4S2/c1-5-23(24,6-2)20-25-13(12-33-20)11-31-17-7-14(29-3)8-18-15(17)9-19(32-18)16-10-28-21(26-16)34-22(27-28)30-4/h7-10,12H,5-6,11H2,1-4H3
PDB

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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176070
PNG
(US10047103, 103 | US9688695, 103)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)N3CCC4(CC3)OCCO4)cc(OC)cc2o1
Show InChI InChI=1S/C25H25N5O6S2/c1-31-16-9-19(17-11-21(36-20(17)10-16)18-12-30-23(27-18)38-24(28-30)32-2)33-13-15-14-37-22(26-15)29-5-3-25(4-6-29)34-7-8-35-25/h9-12,14H,3-8,13H2,1-2H3
PDB

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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176085
PNG
(US10047103, 118 | US9688695, 118)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(O)CCOCC3)cc(OC)cc2o1
Show InChI InChI=1S/C23H22N4O6S2/c1-29-14-7-17(32-11-13-12-34-20(24-13)23(28)3-5-31-6-4-23)15-9-19(33-18(15)8-14)16-10-27-21(25-16)35-22(26-27)30-2/h7-10,12,28H,3-6,11H2,1-2H3
PDB

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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176186
PNG
(US10047103, 219 | US9688695, 219)
Show SMILES COc1cc(OCc2csc(n2)-c2ccc3OCOc3c2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
Show InChI InChI=1S/C27H20N4O5S/c1-15-3-6-26-29-20(11-31(26)30-15)24-10-19-22(8-18(32-2)9-23(19)36-24)33-12-17-13-37-27(28-17)16-4-5-21-25(7-16)35-14-34-21/h3-11,13H,12,14H2,1-2H3
PDB

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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176118
PNG
(US10047103, 151 | US9688695, 151)
Show InChI InChI=1S/C29H31N5O6S2/c1-37-19-11-22(20-13-24(40-23(20)12-19)21-14-34-27(31-21)42-28(32-34)38-2)39-15-18-16-41-26(30-18)29(36)7-5-17(6-8-29)25(35)33-9-3-4-10-33/h11-14,16-17,36H,3-10,15H2,1-2H3
PDB

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n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176106
PNG
(US10047103, 139 | US9688695, 139)
Show SMILES CCC(F)(c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1)C(F)(F)F
Show InChI InChI=1S/C22H18F4N4O4S2/c1-4-21(23,22(24,25)26)18-27-11(10-35-18)9-33-15-5-12(31-2)6-16-13(15)7-17(34-16)14-8-30-19(28-14)36-20(29-30)32-3/h5-8,10H,4,9H2,1-3H3
PDB

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n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176060
PNG
(US10047103, 93 | US9688695, 93)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)N3CC4CCC(C3)O4)cc(OC)cc2o1
Show InChI InChI=1S/C25H25N5O5S2/c1-13-19(27-23(36-13)29-9-14-4-5-15(10-29)34-14)12-33-20-6-16(31-2)7-21-17(20)8-22(35-21)18-11-30-24(26-18)37-25(28-30)32-3/h6-8,11,14-15H,4-5,9-10,12H2,1-3H3
PDB

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n/an/a 27n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176088
PNG
(US10047103, 121 | US9688695, 121)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(O)CC(C)OC(C)C3)cc(OC)cc2o1
Show InChI InChI=1S/C25H26N4O6S2/c1-13-8-25(30,9-14(2)34-13)22-26-15(12-36-22)11-33-19-5-16(31-3)6-20-17(19)7-21(35-20)18-10-29-23(27-18)37-24(28-29)32-4/h5-7,10,12-14,30H,8-9,11H2,1-4H3
PDB

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n/an/a 27n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176128
PNG
(US10047103, 161 | US9688695, 161)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(CCOCC3)c3ccc(cc3)C(=O)N(C)C)cc(OC)cc2o1
Show InChI InChI=1S/C32H31N5O6S2/c1-36(2)28(38)19-5-7-20(8-6-19)32(9-11-41-12-10-32)29-33-21(18-44-29)17-42-25-13-22(39-3)14-26-23(25)15-27(43-26)24-16-37-30(34-24)45-31(35-37)40-4/h5-8,13-16,18H,9-12,17H2,1-4H3
PDB

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n/an/a 27n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176119
PNG
(US10047103, 152 | US9688695, 152)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(O)CCC(CC3)C(=O)N(C)CC#N)cc(OC)cc2o1
Show InChI InChI=1S/C28H28N6O6S2/c1-33(9-8-29)24(35)16-4-6-28(36,7-5-16)25-30-17(15-41-25)14-39-21-10-18(37-2)11-22-19(21)12-23(40-22)20-13-34-26(31-20)42-27(32-34)38-3/h10-13,15-16,36H,4-7,9,14H2,1-3H3
PDB

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n/an/a 28n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176082
PNG
(US10047103, 115 | US9688695, 115)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3CCC(F)(F)CC3)cc(OC)cc2o1
Show InChI InChI=1S/C24H22F2N4O4S2/c1-31-15-7-18(33-11-14-12-35-21(27-14)13-3-5-24(25,26)6-4-13)16-9-20(34-19(16)8-15)17-10-30-22(28-17)36-23(29-30)32-2/h7-10,12-13H,3-6,11H2,1-2H3
PDB

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n/an/a 28n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176159
PNG
(US10047103, 192 | US9688695, 192)
Show SMILES COc1cc(OCc2csc(n2)-c2ccccc2)c2cc(oc2c1)-c1cn2nc(sc2n1)[C@H](C)F
Show InChI InChI=1S/C25H19FN4O3S2/c1-14(26)23-29-30-11-19(28-25(30)35-23)22-10-18-20(8-17(31-2)9-21(18)33-22)32-12-16-13-34-24(27-16)15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3/t14-/m0/s1
PDB

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n/an/a 28n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176112
PNG
(US10047103, 145 | US9688695, 145)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C(O)(c3ccc(Cl)cc3)C(F)(F)F)cc(OC)cc2o1
Show InChI InChI=1S/C26H18ClF3N4O5S2/c1-36-16-7-19(17-9-21(39-20(17)8-16)18-10-34-23(32-18)41-24(33-34)37-2)38-11-15-12-40-22(31-15)25(35,26(28,29)30)13-3-5-14(27)6-4-13/h3-10,12,35H,11H2,1-2H3
PDB

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n/an/a 29n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176000
PNG
(US10047103, 33 | US9688695, 33)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3cc(C)on3)cc(OC)cc2o1
Show InChI InChI=1S/C22H17N5O5S2/c1-11-4-15(26-32-11)20-23-12(10-33-20)9-30-17-5-13(28-2)6-18-14(17)7-19(31-18)16-8-27-21(24-16)34-22(25-27)29-3/h4-8,10H,9H2,1-3H3
PDB

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n/an/a 38n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM175969
PNG
(US10047103, 2 | US9688695, 2)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C(F)(F)F)cc(OC)cc2o1
Show InChI InChI=1S/C19H13F3N4O4S2/c1-27-10-3-13(29-7-9-8-31-16(23-9)19(20,21)22)11-5-15(30-14(11)4-10)12-6-26-17(24-12)32-18(25-26)28-2/h3-6,8H,7H2,1-2H3
PDB

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n/an/a 49n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176168
PNG
(US10047103, 201 | US9688695, 201)
Show SMILES COc1cc(OCc2csc(n2)-c2ccccc2)c2nc(oc2c1)-c1cn2nc(SC)sc2n1
Show InChI InChI=1S/C23H17N5O3S3/c1-29-15-8-17(30-11-14-12-33-21(24-14)13-6-4-3-5-7-13)19-18(9-15)31-20(26-19)16-10-28-22(25-16)34-23(27-28)32-2/h3-10,12H,11H2,1-2H3
PDB

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n/an/a 156n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM175973
PNG
(US10047103, 6 | US9688695, 6)
Show SMILES COCCOCc1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1
Show InChI InChI=1S/C22H22N4O6S2/c1-27-4-5-30-11-20-23-13(12-33-20)10-31-17-6-14(28-2)7-18-15(17)8-19(32-18)16-9-26-21(24-16)34-22(25-26)29-3/h6-9,12H,4-5,10-11H2,1-3H3
PDB

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n/an/a 2.03E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176001
PNG
(US10047103, 34 | US9688695, 34)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cscn3)cc(OC)cc2o1
Show InChI InChI=1S/C18H14N4O4S2/c1-23-11-3-14(25-7-10-8-27-9-19-10)12-5-16(26-15(12)4-11)13-6-22-17(20-13)28-18(21-22)24-2/h3-6,8-9H,7H2,1-2H3
PDB

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n/an/a 2.32E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176252
PNG
(US10047103, 285 | US9688695, 285)
Show SMILES COc1cc(OCc2csc(n2)N2CCN(CC2)c2ccc(C)cn2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
Show InChI InChI=1S/C30H29N7O3S/c1-19-4-6-28(31-15-19)35-8-10-36(11-9-35)30-32-21(18-41-30)17-39-25-12-22(38-3)13-26-23(25)14-27(40-26)24-16-37-29(33-24)7-5-20(2)34-37/h4-7,12-16,18H,8-11,17H2,1-3H3
PDB

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n/an/a 2.34E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176235
PNG
(US10047103, 268 | US9688695, 268)
Show SMILES COc1cc(OCc2csc(n2)N2CCN(CC2)c2cccc(Cl)c2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
Show InChI InChI=1S/C30H27ClN6O3S/c1-19-6-7-29-33-25(16-37(29)34-19)28-15-24-26(13-23(38-2)14-27(24)40-28)39-17-21-18-41-30(32-21)36-10-8-35(9-11-36)22-5-3-4-20(31)12-22/h3-7,12-16,18H,8-11,17H2,1-2H3
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n/an/a 2.36E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176172
PNG
(US10047103, 205 | US9688695, 205)
Show SMILES COc1cc(OCc2csc(Br)n2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
Show InChI InChI=1S/C20H15BrN4O3S/c1-11-3-4-19-23-15(8-25(19)24-11)18-7-14-16(5-13(26-2)6-17(14)28-18)27-9-12-10-29-20(21)22-12/h3-8,10H,9H2,1-2H3
PDB

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n/an/a 2.38E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176242
PNG
(US10047103, 275 | US9688695, 275)
Show SMILES COc1cc(OCc2csc(n2)N2CCC[C@H]2C)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
Show InChI InChI=1S/C25H25N5O3S/c1-15-6-7-24-27-20(12-30(24)28-15)23-11-19-21(9-18(31-3)10-22(19)33-23)32-13-17-14-34-25(26-17)29-8-4-5-16(29)2/h6-7,9-12,14,16H,4-5,8,13H2,1-3H3/t16-/m1/s1
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n/an/a 2.63E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM175977
PNG
(US10047103, 10 | US9688695, 10)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cnnn3-c3ccccc3)cc(OC)cc2o1
Show InChI InChI=1S/C23H18N6O4S/c1-30-16-8-19(32-13-15-11-24-27-29(15)14-6-4-3-5-7-14)17-10-21(33-20(17)9-16)18-12-28-22(25-18)34-23(26-28)31-2/h3-12H,13H2,1-2H3
PDB

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n/an/a 2.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176216
PNG
(US10047103, 249 | US9688695, 249)
Show SMILES COc1cc(OCc2csc(n2)N(C)CCO)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
Show InChI InChI=1S/C23H23N5O4S/c1-14-4-5-22-25-18(11-28(22)26-14)21-10-17-19(8-16(30-3)9-20(17)32-21)31-12-15-13-33-23(24-15)27(2)6-7-29/h4-5,8-11,13,29H,6-7,12H2,1-3H3
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n/an/a>3.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176054
PNG
(US10047103, 87 | US9688695, 87)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(N)sc3C)cc(OC)cc2o1
Show InChI InChI=1S/C19H17N5O4S2/c1-9-13(21-17(20)29-9)8-27-14-4-10(25-2)5-15-11(14)6-16(28-15)12-7-24-18(22-12)30-19(23-24)26-3/h4-7H,8H2,1-3H3,(H2,20,21)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176098
PNG
(US10047103, 131 | US9688695, 131)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C(F)(F)F)C3(O)CCOCC3)cc(OC)cc2o1
Show InChI InChI=1S/C24H21F3N4O6S2/c1-33-12-7-16(13-9-18(37-17(13)8-12)14-10-31-21(29-14)39-22(30-31)34-2)36-11-15-19(24(25,26)27)38-20(28-15)23(32)3-5-35-6-4-23/h7-10,32H,3-6,11H2,1-2H3
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n/an/a>3.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)

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