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Patent code US10143681

Compile Data Set for Download or QSAR
Found 183 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))
BDBM304229
PNG
(2-(1-((4-carboxy-3- fluorophenyl)amino)-3- cyclobu...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CCC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1F
Show InChI InChI=1S/C26H21ClF4N2O4/c27-19-8-7-17(24(30)31)22(23(19)29)14-4-9-21(33(37)12-14)18(10-13-2-1-3-13)25(34)32-15-5-6-16(26(35)36)20(28)11-15/h4-9,11-13,18,24H,1-3,10H2,(H,32,34)(H,35,36)
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n/an/a 0.100n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304126
PNG
((R)-trans-4-{[2-{5-[3-chloro-6-(difluoromethoxy)-2...)
Show SMILES O[C@H]1CC[C@H](C[C@@H](C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)CC1
Show InChI InChI=1S/C28H26ClF3N2O6/c29-21-10-12-23(40-28(31)32)24(25(21)30)17-5-11-22(34(39)14-17)20(13-15-1-8-19(35)9-2-15)26(36)33-18-6-3-16(4-7-18)27(37)38/h3-7,10-12,14-15,19-20,28,35H,1-2,8-9,13H2,(H,33,36)(H,37,38)/t15-,19-,20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304171
PNG
(2-((2R)-1-((4- carboxyphenyl)amino)-3-(2- methylcy...)
Show SMILES CC1CC1C[C@@H](C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1C(F)F
Show InChI InChI=1S/C26H22ClF3N2O4/c1-13-10-16(13)11-19(25(33)31-17-5-2-14(3-6-17)26(34)35)21-9-4-15(12-32(21)36)22-18(24(29)30)7-8-20(27)23(22)28/h2-9,12-13,16,19,24H,10-11H2,1H3,(H,31,33)(H,34,35)/t13?,16?,19-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304171
PNG
(2-((2R)-1-((4- carboxyphenyl)amino)-3-(2- methylcy...)
Show SMILES CC1CC1C[C@@H](C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1C(F)F
Show InChI InChI=1S/C26H22ClF3N2O4/c1-13-10-16(13)11-19(25(33)31-17-5-2-14(3-6-17)26(34)35)21-9-4-15(12-32(21)36)22-18(24(29)30)7-8-20(27)23(22)28/h2-9,12-13,16,19,24H,10-11H2,1H3,(H,31,33)(H,34,35)/t13?,16?,19-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304207
PNG
(2-(1-((4- carboxyphenyl)amino)-3- (2,3-dimethylcyc...)
Show SMILES CC1C(C)C1CC(C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C27H24ClF3N2O5/c1-13-14(2)18(13)11-19(25(34)32-17-6-3-15(4-7-17)26(35)36)21-9-5-16(12-33(21)37)23-22(38-27(30)31)10-8-20(28)24(23)29/h3-10,12-14,18-19,27H,11H2,1-2H3,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304179
PNG
(2-(1-((4-carboxyphenyl)amino)- 3-cyclopropyl-1-oxo...)
Show SMILES COc1cc(C(CC2CC2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])cc1-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H22ClF3N2O6/c1-37-21-11-19(32(36)12-17(21)22-20(38-26(29)30)9-8-18(27)23(22)28)16(10-13-2-3-13)24(33)31-15-6-4-14(5-7-15)25(34)35/h4-9,11-13,16,26H,2-3,10H2,1H3,(H,31,33)(H,34,35)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304131
PNG
((R)- or (S)-2-(1-((4- carboxyphenyl)amino)-3- ((1r...)
Show SMILES O[C@H]1CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)CC1
Show InChI InChI=1S/C28H26ClF3N2O5/c29-22-11-10-20(26(31)32)24(25(22)30)17-5-12-23(34(39)14-17)21(13-15-1-8-19(35)9-2-15)27(36)33-18-6-3-16(4-7-18)28(37)38/h3-7,10-12,14-15,19,21,26,35H,1-2,8-9,13H2,(H,33,36)(H,37,38)/t15-,19-,21?
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304095
PNG
((R)-2-(1-((4-Carboxyphenyl)amino)-3-cyclobutyl-1-o...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H22ClF3N2O4/c27-20-10-9-18(24(29)30)22(23(20)28)16-6-11-21(32(36)13-16)19(12-14-2-1-3-14)25(33)31-17-7-4-15(5-8-17)26(34)35/h4-11,13-14,19,24H,1-3,12H2,(H,31,33)(H,34,35)/t19-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304152
PNG
(2-((R)-1-((4- carboxyphenyl)amino)-3- ((1R,2S)-2- ...)
Show SMILES C[C@H]1C[C@@H]1C[C@@H](C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H22ClF3N2O5/c1-13-10-16(13)11-18(24(33)31-17-5-2-14(3-6-17)25(34)35)20-8-4-15(12-32(20)36)22-21(37-26(29)30)9-7-19(27)23(22)28/h2-9,12-13,16,18,26H,10-11H2,1H3,(H,31,33)(H,34,35)/t13-,16+,18+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304153
PNG
(2-((R)-1-((4- carboxyphenyl)amino)-3- ((1S,2R)-2- ...)
Show SMILES C[C@@H]1C[C@H]1C[C@@H](C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H22ClF3N2O5/c1-13-10-16(13)11-18(24(33)31-17-5-2-14(3-6-17)25(34)35)20-8-4-15(12-32(20)36)22-21(37-26(29)30)9-7-19(27)23(22)28/h2-9,12-13,16,18,26H,10-11H2,1H3,(H,31,33)(H,34,35)/t13-,16+,18-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304204
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(2- (fluoromethyl...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2CF)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H21ClF4N2O4/c27-20-7-6-18(24(30)31)22(23(20)29)14-3-8-21(33(37)12-14)19(10-15-9-16(15)11-28)25(34)32-17-4-1-13(2-5-17)26(35)36/h1-8,12,15-16,19,24H,9-11H2,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304203
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(2- (fluoromethyl...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2CF)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H21ClF4N2O4/c27-20-7-6-18(24(30)31)22(23(20)29)14-3-8-21(33(37)12-14)19(10-15-9-16(15)11-28)25(34)32-17-4-1-13(2-5-17)26(35)36/h1-8,12,15-16,19,24H,9-11H2,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304196
PNG
(2-(1-((4- carboxyphenyl)amino)-1- oxo-3-(2- (trifl...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H19ClF6N2O4/c27-19-7-6-16(23(29)30)21(22(19)28)13-3-8-20(35(39)11-13)17(9-14-10-18(14)26(31,32)33)24(36)34-15-4-1-12(2-5-15)25(37)38/h1-8,11,14,17-18,23H,9-10H2,(H,34,36)(H,37,38)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304220
PNG
(2-(1-((4- carboxyphenyl)amino)-3- (2,2-dimethylcyc...)
Show SMILES CC1(C)CC1CC(C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C27H24ClF3N2O5/c1-27(2)12-16(27)11-18(24(34)32-17-6-3-14(4-7-17)25(35)36)20-9-5-15(13-33(20)37)22-21(38-26(30)31)10-8-19(28)23(22)29/h3-10,13,16,18,26H,11-12H2,1-2H3,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304136
PNG
(2-(1-((4- carboxyphenyl)amino)-3- ((1r,4r)-4-hydro...)
Show SMILES C[C@]1(O)CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)CC1
Show InChI InChI=1S/C29H28ClF3N2O6/c1-29(39)12-10-16(11-13-29)14-20(26(36)34-19-5-2-17(3-6-19)27(37)38)22-8-4-18(15-35(22)40)24-23(41-28(32)33)9-7-21(30)25(24)31/h2-9,15-16,20,28,39H,10-14H2,1H3,(H,34,36)(H,37,38)/t16-,20?,29-
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304110
PNG
((R)- or (S)-4-[(2-{5-[3-chloro-6- (difluoromethoxy...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CCCC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C27H24ClF3N2O5/c28-20-10-12-22(38-27(30)31)23(24(20)29)17-7-11-21(33(37)14-17)19(13-15-3-1-2-4-15)25(34)32-18-8-5-16(6-9-18)26(35)36/h5-12,14-15,19,27H,1-4,13H2,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304179
PNG
(2-(1-((4-carboxyphenyl)amino)- 3-cyclopropyl-1-oxo...)
Show SMILES COc1cc(C(CC2CC2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])cc1-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H22ClF3N2O6/c1-37-21-11-19(32(36)12-17(21)22-20(38-26(29)30)9-8-18(27)23(22)28)16(10-13-2-3-13)24(33)31-15-6-4-14(5-7-15)25(34)35/h4-9,11-13,16,26H,2-3,10H2,1H3,(H,31,33)(H,34,35)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304106
PNG
((R)- or (S)-4-[(2-{5-[3-chloro-6- (difluoromethoxy...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CCC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C26H22ClF3N2O5/c27-19-9-11-21(37-26(29)30)22(23(19)28)16-6-10-20(32(36)13-16)18(12-14-2-1-3-14)24(33)31-17-7-4-15(5-8-17)25(34)35/h4-11,13-14,18,26H,1-3,12H2,(H,31,33)(H,34,35)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304142
PNG
(2-(1-((4- carboxyphenyl)amino)-3- ((1r,4r)-4-hydro...)
Show SMILES C[C@]1(O)CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)CC1
Show InChI InChI=1S/C29H28ClF3N2O5/c1-29(39)12-10-16(11-13-29)14-21(27(36)34-19-5-2-17(3-6-19)28(37)38)23-9-4-18(15-35(23)40)24-20(26(32)33)7-8-22(30)25(24)31/h2-9,15-16,21,26,39H,10-14H2,1H3,(H,34,36)(H,37,38)/t16-,21?,29-
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304227
PNG
(2-(1-((4-carboxy-3- fluorophenyl)amino)-3- cyclopr...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1F
Show InChI InChI=1S/C25H19ClF4N2O4/c26-18-7-6-16(23(29)30)21(22(18)28)13-3-8-20(32(36)11-13)17(9-12-1-2-12)24(33)31-14-4-5-15(25(34)35)19(27)10-14/h3-8,10-12,17,23H,1-2,9H2,(H,31,33)(H,34,35)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304191
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(3- hydroxy-3- me...)
Show SMILES CC1(O)CC(CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)C1
Show InChI InChI=1S/C27H24ClF3N2O5/c1-27(37)11-14(12-27)10-19(25(34)32-17-5-2-15(3-6-17)26(35)36)21-9-4-16(13-33(21)38)22-18(24(30)31)7-8-20(28)23(22)29/h2-9,13-14,19,24,37H,10-12H2,1H3,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304198
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(2- (difluorometh...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H20ClF5N2O4/c27-19-7-6-16(23(29)30)21(22(19)28)13-3-8-20(34(38)11-13)18(10-14-9-17(14)24(31)32)25(35)33-15-4-1-12(2-5-15)26(36)37/h1-8,11,14,17-18,23-24H,9-10H2,(H,33,35)(H,36,37)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304212
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(2- methylcyclobu...)
Show SMILES CC1CCC1CC(C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C27H24ClF3N2O5/c1-14-2-3-16(14)12-19(25(34)32-18-7-4-15(5-8-18)26(35)36)21-10-6-17(13-33(21)37)23-22(38-27(30)31)11-9-20(28)24(23)29/h4-11,13-14,16,19,27H,2-3,12H2,1H3,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304233
PNG
(2-(3-(bicyclo[1.1.1]pentan- 1-yl)-1-((4-carboxy-3-...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC23CC(C2)C3)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1F
Show InChI InChI=1S/C27H21ClF4N2O4/c28-19-5-4-17(24(31)32)22(23(19)30)14-1-6-21(34(38)12-14)18(11-27-8-13(9-27)10-27)25(35)33-15-2-3-16(26(36)37)20(29)7-15/h1-7,12-13,18,24H,8-11H2,(H,33,35)(H,36,37)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304197
PNG
(2-(1-((4- carboxyphenyl)amino)-1- oxo-3-(2- (trifl...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H19ClF6N2O4/c27-19-7-6-16(23(29)30)21(22(19)28)13-3-8-20(35(39)11-13)17(9-14-10-18(14)26(31,32)33)24(36)34-15-4-1-12(2-5-15)25(37)38/h1-8,11,14,17-18,23H,9-10H2,(H,34,36)(H,37,38)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304114
PNG
((R)-2-(1-((4-carboxyphenyl)amino)-3-cyclopropyl-1-...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C25H20ClF3N2O4/c26-19-9-8-17(23(28)29)21(22(19)27)15-5-10-20(31(35)12-15)18(11-13-1-2-13)24(32)30-16-6-3-14(4-7-16)25(33)34/h3-10,12-13,18,23H,1-2,11H2,(H,30,32)(H,33,34)/t18-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304149
PNG
((R)-4-[(3-bicyclo[1.1.1]pent-1-yl-2-{5-[3-chloro-6...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC23CC(C2)C3)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C27H22ClF3N2O5/c28-19-6-8-21(38-26(30)31)22(23(19)29)16-3-7-20(33(37)13-16)18(12-27-9-14(10-27)11-27)24(34)32-17-4-1-15(2-5-17)25(35)36/h1-8,13-14,18,26H,9-12H2,(H,32,34)(H,35,36)/t14?,18-,27?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304199
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(2- (difluorometh...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H20ClF5N2O4/c27-19-7-6-16(23(29)30)21(22(19)28)13-3-8-20(34(38)11-13)18(10-14-9-17(14)24(31)32)25(35)33-15-4-1-12(2-5-15)26(36)37/h1-8,11,14,17-18,23-24H,9-10H2,(H,33,35)(H,36,37)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304190
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(3- fluorocyclobu...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC(F)C2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H21ClF4N2O4/c27-20-7-6-18(24(30)31)22(23(20)29)15-3-8-21(33(37)12-15)19(11-13-9-16(28)10-13)25(34)32-17-4-1-14(2-5-17)26(35)36/h1-8,12-13,16,19,24H,9-11H2,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304218
PNG
(2-(1-((4- carboxyphenyl)amino)-1- oxo-3-(2- (trifl...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C26H19ClF6N2O5/c27-18-6-8-20(40-25(29)30)21(22(18)28)13-3-7-19(35(39)11-13)16(9-14-10-17(14)26(31,32)33)23(36)34-15-4-1-12(2-5-15)24(37)38/h1-8,11,14,16-17,25H,9-10H2,(H,34,36)(H,37,38)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304183
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(3- methylcyclobu...)
Show SMILES CC1CC(CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)(F)F)C1
Show InChI InChI=1S/C27H23ClF4N2O4/c1-14-10-15(11-14)12-19(25(35)33-18-5-2-16(3-6-18)26(36)37)22-9-4-17(13-34(22)38)23-20(27(30,31)32)7-8-21(28)24(23)29/h2-9,13-15,19H,10-12H2,1H3,(H,33,35)(H,36,37)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304174
PNG
(2-((2R)-1-((4- carboxyphenyl)amino)-3-(2- methylcy...)
Show SMILES CC1CC1C[C@@H](C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1C(F)(F)F
Show InChI InChI=1S/C26H21ClF4N2O4/c1-13-10-16(13)11-18(24(34)32-17-5-2-14(3-6-17)25(35)36)21-9-4-15(12-33(21)37)22-19(26(29,30)31)7-8-20(27)23(22)28/h2-9,12-13,16,18H,10-11H2,1H3,(H,32,34)(H,35,36)/t13?,16?,18-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304211
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(3- fluorocyclobu...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC(F)C2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C26H21ClF4N2O5/c27-19-6-8-21(38-26(30)31)22(23(19)29)15-3-7-20(33(37)12-15)18(11-13-9-16(28)10-13)24(34)32-17-4-1-14(2-5-17)25(35)36/h1-8,12-13,16,18,26H,9-11H2,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304185
PNG
(2-(1-((4- carboxyphenyl)amino)-3- (2,2-difluorocyc...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C25H18ClF5N2O4/c26-18-7-6-16(22(28)29)20(21(18)27)13-3-8-19(33(37)11-13)17(9-14-10-25(14,30)31)23(34)32-15-4-1-12(2-5-15)24(35)36/h1-8,11,14,17,22H,9-10H2,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304133
PNG
((R)-4-{[2-{5-[3-chloro-6-(difluoromethoxy)-2-fluor...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCC(F)(F)CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C28H24ClF5N2O5/c29-20-6-8-22(41-27(31)32)23(24(20)30)17-3-7-21(36(40)14-17)19(13-15-9-11-28(33,34)12-10-15)25(37)35-18-4-1-16(2-5-18)26(38)39/h1-8,14-15,19,27H,9-13H2,(H,35,37)(H,38,39)/t19-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304093
PNG
((S)-2-(1-((4-carboxyphenyl)amino)-3-cyclopropyl-1-...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@@H](CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C25H20ClF3N2O5/c26-18-8-10-20(36-25(28)29)21(22(18)27)15-5-9-19(31(35)12-15)17(11-13-1-2-13)23(32)30-16-6-3-14(4-7-16)24(33)34/h3-10,12-13,17,25H,1-2,11H2,(H,30,32)(H,33,34)/t17-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304229
PNG
(2-(1-((4-carboxy-3- fluorophenyl)amino)-3- cyclobu...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CCC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1F
Show InChI InChI=1S/C26H21ClF4N2O4/c27-19-8-7-17(24(30)31)22(23(19)29)14-4-9-21(33(37)12-14)18(10-13-2-1-3-13)25(34)32-15-5-6-16(26(35)36)20(28)11-15/h4-9,11-13,18,24H,1-3,10H2,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304178
PNG
((R)-2-(1-((4-carboxyphenyl)amino)-3-cyclopropyl-1-...)
Show SMILES COc1cc([C@@H](CC2CC2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])cc1-c1c(F)c(Cl)ccc1C(F)F
Show InChI InChI=1S/C26H22ClF3N2O5/c1-37-21-11-20(32(36)12-18(21)22-16(24(29)30)8-9-19(27)23(22)28)17(10-13-2-3-13)25(33)31-15-6-4-14(5-7-15)26(34)35/h4-9,11-13,17,24H,2-3,10H2,1H3,(H,31,33)(H,34,35)/t17-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304207
PNG
(2-(1-((4- carboxyphenyl)amino)-3- (2,3-dimethylcyc...)
Show SMILES CC1C(C)C1CC(C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C27H24ClF3N2O5/c1-13-14(2)18(13)11-19(25(34)32-17-6-3-15(4-7-17)26(35)36)21-9-5-16(12-33(21)37)23-22(38-27(30)31)10-8-20(28)24(23)29/h3-10,12-14,18-19,27H,11H2,1-2H3,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304186
PNG
(2-(1-((4- carboxyphenyl)amino)-3- (2,2-difluorocyc...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C25H18ClF5N2O4/c26-18-7-6-16(22(28)29)20(21(18)27)13-3-8-19(33(37)11-13)17(9-14-10-25(14,30)31)23(34)32-15-4-1-12(2-5-15)24(35)36/h1-8,11,14,17,22H,9-10H2,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304191
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(3- hydroxy-3- me...)
Show SMILES CC1(O)CC(CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)C1
Show InChI InChI=1S/C27H24ClF3N2O5/c1-27(37)11-14(12-27)10-19(25(34)32-17-5-2-15(3-6-17)26(35)36)21-9-4-16(13-33(21)38)22-18(24(30)31)7-8-20(28)23(22)29/h2-9,13-14,19,24,37H,10-12H2,1H3,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304139
PNG
(2-(1-((4- carboxyphenyl)amino)-3- ((1s,4s)-4-hydro...)
Show SMILES C[C@@]1(O)CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)CC1
Show InChI InChI=1S/C29H28ClF3N2O5/c1-29(39)12-10-16(11-13-29)14-21(27(36)34-19-5-2-17(3-6-19)28(37)38)23-9-4-18(15-35(23)40)24-20(26(32)33)7-8-22(30)25(24)31/h2-9,15-16,21,26,39H,10-14H2,1H3,(H,34,36)(H,37,38)/t16-,21?,29+
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304196
PNG
(2-(1-((4- carboxyphenyl)amino)-1- oxo-3-(2- (trifl...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H19ClF6N2O4/c27-19-7-6-16(23(29)30)21(22(19)28)13-3-8-20(35(39)11-13)17(9-14-10-18(14)26(31,32)33)24(36)34-15-4-1-12(2-5-15)25(37)38/h1-8,11,14,17-18,23H,9-10H2,(H,34,36)(H,37,38)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304118
PNG
((R)- or (S)-2-(1-((4- carboxyphenyl)amino)-3-cyclo...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)(F)F)cc1
Show InChI InChI=1S/C25H19ClF4N2O4/c26-19-9-8-18(25(28,29)30)21(22(19)27)15-5-10-20(32(36)12-15)17(11-13-1-2-13)23(33)31-16-6-3-14(4-7-16)24(34)35/h3-10,12-13,17H,1-2,11H2,(H,31,33)(H,34,35)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304171
PNG
(2-((2R)-1-((4- carboxyphenyl)amino)-3-(2- methylcy...)
Show SMILES CC1CC1C[C@@H](C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1C(F)F
Show InChI InChI=1S/C26H22ClF3N2O4/c1-13-10-16(13)11-19(25(33)31-17-5-2-14(3-6-17)26(34)35)21-9-4-15(12-32(21)36)22-18(24(29)30)7-8-20(27)23(22)28/h2-9,12-13,16,19,24H,10-11H2,1H3,(H,31,33)(H,34,35)/t13?,16?,19-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304122
PNG
(2-(1-((4-carboxyphenyl)amino)-3-(1- cyanocycloprop...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2(CC2)C#N)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H19ClF3N3O4/c27-19-7-6-17(23(29)30)21(22(19)28)15-3-8-20(33(37)12-15)18(11-26(13-31)9-10-26)24(34)32-16-4-1-14(2-5-16)25(35)36/h1-8,12,18,23H,9-11H2,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304216
PNG
(2-(1-((4- carboxyphenyl)amino)-1- oxo-3-(2- (trifl...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C26H19ClF6N2O5/c27-18-6-8-20(40-25(29)30)21(22(18)28)13-3-7-19(35(39)11-13)16(9-14-10-17(14)26(31,32)33)23(36)34-15-4-1-12(2-5-15)24(37)38/h1-8,11,14,16-17,25H,9-10H2,(H,34,36)(H,37,38)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304134
PNG
(2-(1-((4- carboxyphenyl)amino)-3- ((1s,4s)-4-hydro...)
Show SMILES C[C@@]1(O)CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)CC1
Show InChI InChI=1S/C29H28ClF3N2O6/c1-29(39)12-10-16(11-13-29)14-20(26(36)34-19-5-2-17(3-6-19)27(37)38)22-8-4-18(15-35(22)40)24-23(41-28(32)33)9-7-21(30)25(24)31/h2-9,15-16,20,28,39H,10-14H2,1H3,(H,34,36)(H,37,38)/t16-,20?,29+
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304179
PNG
(2-(1-((4-carboxyphenyl)amino)- 3-cyclopropyl-1-oxo...)
Show SMILES COc1cc(C(CC2CC2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])cc1-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H22ClF3N2O6/c1-37-21-11-19(32(36)12-17(21)22-20(38-26(29)30)9-8-18(27)23(22)28)16(10-13-2-3-13)24(33)31-15-6-4-14(5-7-15)25(34)35/h4-9,11-13,16,26H,2-3,10H2,1H3,(H,31,33)(H,34,35)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304182
PNG
((R)-4-[(2-{5-[3-chloro-6-(difluoromethoxy)-2-fluor...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1F
Show InChI InChI=1S/C25H19ClF4N2O5/c26-17-6-8-20(37-25(29)30)21(22(17)28)13-3-7-19(32(36)11-13)16(9-12-1-2-12)23(33)31-14-4-5-15(24(34)35)18(27)10-14/h3-8,10-12,16,25H,1-2,9H2,(H,31,33)(H,34,35)/t16-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304202
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(2- fluorocyclopr...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C25H19ClF4N2O4/c26-18-7-6-16(23(29)30)21(22(18)28)13-3-8-20(32(36)11-13)17(9-14-10-19(14)27)24(33)31-15-4-1-12(2-5-15)25(34)35/h1-8,11,14,17,19,23H,9-10H2,(H,31,33)(H,34,35)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304183
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(3- methylcyclobu...)
Show SMILES CC1CC(CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)(F)F)C1
Show InChI InChI=1S/C27H23ClF4N2O4/c1-14-10-15(11-14)12-19(25(35)33-18-5-2-16(3-6-18)26(36)37)22-9-4-17(13-34(22)38)23-20(27(30,31)32)7-8-21(28)24(23)29/h2-9,13-15,19H,10-12H2,1H3,(H,33,35)(H,36,37)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304124
PNG
((R)-4-{[2-{5-[3-chloro-6-(difluoromethoxy)-2-fluor...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCC(=O)CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C28H24ClF3N2O6/c29-21-10-12-23(40-28(31)32)24(25(21)30)17-5-11-22(34(39)14-17)20(13-15-1-8-19(35)9-2-15)26(36)33-18-6-3-16(4-7-18)27(37)38/h3-7,10-12,14-15,20,28H,1-2,8-9,13H2,(H,33,36)(H,37,38)/t20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304197
PNG
(2-(1-((4- carboxyphenyl)amino)-1- oxo-3-(2- (trifl...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H19ClF6N2O4/c27-19-7-6-16(23(29)30)21(22(19)28)13-3-8-20(35(39)11-13)17(9-14-10-18(14)26(31,32)33)24(36)34-15-4-1-12(2-5-15)25(37)38/h1-8,11,14,17-18,23H,9-10H2,(H,34,36)(H,37,38)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304212
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(2- methylcyclobu...)
Show SMILES CC1CCC1CC(C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C27H24ClF3N2O5/c1-14-2-3-16(14)12-19(25(34)32-18-7-4-15(5-8-18)26(35)36)21-10-6-17(13-33(21)37)23-22(38-27(30)31)11-9-20(28)24(23)29/h4-11,13-14,16,19,27H,2-3,12H2,1H3,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304147
PNG
((R)-2-(1-((4-carboxyphenyl)amino)-3-(3,3-difluoroc...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CC(F)(F)C2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C26H20ClF5N2O5/c27-18-6-8-20(39-25(29)30)21(22(18)28)15-3-7-19(34(38)12-15)17(9-13-10-26(31,32)11-13)23(35)33-16-4-1-14(2-5-16)24(36)37/h1-8,12-13,17,25H,9-11H2,(H,33,35)(H,36,37)/t17-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304120
PNG
((R)- or (S)-2-(1-((4- carboxyphenyl)amino)-3-cyclo...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C25H21ClF2N2O4/c26-17-6-9-19(23(27)28)20(12-17)16-5-10-22(30(34)13-16)21(11-14-1-2-14)24(31)29-18-7-3-15(4-8-18)25(32)33/h3-10,12-14,21,23H,1-2,11H2,(H,29,31)(H,32,33)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304095
PNG
((R)-2-(1-((4-Carboxyphenyl)amino)-3-cyclobutyl-1-o...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H22ClF3N2O4/c27-20-10-9-18(24(29)30)22(23(20)28)16-6-11-21(32(36)13-16)19(12-14-2-1-3-14)25(33)31-17-7-4-15(5-8-17)26(34)35/h4-11,13-14,19,24H,1-3,12H2,(H,31,33)(H,34,35)/t19-/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304233
PNG
(2-(3-(bicyclo[1.1.1]pentan- 1-yl)-1-((4-carboxy-3-...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC23CC(C2)C3)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1F
Show InChI InChI=1S/C27H21ClF4N2O4/c28-19-5-4-17(24(31)32)22(23(19)30)14-1-6-21(34(38)12-14)18(11-27-8-13(9-27)10-27)25(35)33-15-2-3-16(26(36)37)20(29)7-15/h1-7,12-13,18,24H,8-11H2,(H,33,35)(H,36,37)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304199
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(2- (difluorometh...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H20ClF5N2O4/c27-19-7-6-16(23(29)30)21(22(19)28)13-3-8-20(34(38)11-13)18(10-14-9-17(14)24(31)32)25(35)33-15-4-1-12(2-5-15)26(36)37/h1-8,11,14,17-18,23-24H,9-10H2,(H,33,35)(H,36,37)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304131
PNG
((R)- or (S)-2-(1-((4- carboxyphenyl)amino)-3- ((1r...)
Show SMILES O[C@H]1CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)CC1
Show InChI InChI=1S/C28H26ClF3N2O5/c29-22-11-10-20(26(31)32)24(25(22)30)17-5-12-23(34(39)14-17)21(13-15-1-8-19(35)9-2-15)27(36)33-18-6-3-16(4-7-18)28(37)38/h3-7,10-12,14-15,19,21,26,35H,1-2,8-9,13H2,(H,33,36)(H,37,38)/t15-,19-,21?
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304203
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(2- (fluoromethyl...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2CF)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H21ClF4N2O4/c27-20-7-6-18(24(30)31)22(23(20)29)14-3-8-21(33(37)12-14)19(10-15-9-16(15)11-28)25(34)32-17-4-1-13(2-5-17)26(35)36/h1-8,12,15-16,19,24H,9-11H2,(H,32,34)(H,35,36)
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n/an/a 6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304171
PNG
(2-((2R)-1-((4- carboxyphenyl)amino)-3-(2- methylcy...)
Show SMILES CC1CC1C[C@@H](C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1C(F)F
Show InChI InChI=1S/C26H22ClF3N2O4/c1-13-10-16(13)11-19(25(33)31-17-5-2-14(3-6-17)26(34)35)21-9-4-15(12-32(21)36)22-18(24(29)30)7-8-20(27)23(22)28/h2-9,12-13,16,19,24H,10-11H2,1H3,(H,31,33)(H,34,35)/t13?,16?,19-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304104
PNG
((R)-4-[(2-{5-[3-chloro-6- (cyclopropylmethoxy)-2- ...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OCC2CC2)cc1
Show InChI InChI=1S/C28H26ClFN2O5/c29-22-10-12-24(37-15-17-3-4-17)25(26(22)30)19-7-11-23(32(36)14-19)21(13-16-1-2-16)27(33)31-20-8-5-18(6-9-20)28(34)35/h5-12,14,16-17,21H,1-4,13,15H2,(H,31,33)(H,34,35)/t21-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304198
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(2- (difluorometh...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H20ClF5N2O4/c27-19-7-6-16(23(29)30)21(22(19)28)13-3-8-20(34(38)11-13)18(10-14-9-17(14)24(31)32)25(35)33-15-4-1-12(2-5-15)26(36)37/h1-8,11,14,17-18,23-24H,9-10H2,(H,33,35)(H,36,37)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304121
PNG
(2-(1-((4-carboxyphenyl)amino)-3-(1- cyanocycloprop...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2(CC2)C#N)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)(F)F)cc1
Show InChI InChI=1S/C26H18ClF4N3O4/c27-19-7-6-18(26(29,30)31)21(22(19)28)15-3-8-20(34(38)12-15)17(11-25(13-32)9-10-25)23(35)33-16-4-1-14(2-5-16)24(36)37/h1-8,12,17H,9-11H2,(H,33,35)(H,36,37)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304098
PNG
((R)- or (S)-4-[(2-{5-[5-chloro-2- (difluoromethoxy...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C25H21ClF2N2O5/c26-17-6-10-22(35-25(27)28)19(12-17)16-5-9-21(30(34)13-16)20(11-14-1-2-14)23(31)29-18-7-3-15(4-8-18)24(32)33/h3-10,12-14,20,25H,1-2,11H2,(H,29,31)(H,32,33)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304190
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(3- fluorocyclobu...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC(F)C2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H21ClF4N2O4/c27-20-7-6-18(24(30)31)22(23(20)29)15-3-8-21(33(37)12-15)19(11-13-9-16(28)10-13)25(34)32-17-4-1-14(2-5-17)26(35)36/h1-8,12-13,16,19,24H,9-11H2,(H,32,34)(H,35,36)
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n/an/a 8.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304099
PNG
((S)- or (R)-4-({2-[5-(3-chloro-6- ethoxy-2-fluorop...)
Show SMILES CCOc1ccc(Cl)c(F)c1-c1ccc(C(CC2CC2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])c1
Show InChI InChI=1S/C26H24ClFN2O5/c1-2-35-22-12-10-20(27)24(28)23(22)17-7-11-21(30(34)14-17)19(13-15-3-4-15)25(31)29-18-8-5-16(6-9-18)26(32)33/h5-12,14-15,19H,2-4,13H2,1H3,(H,29,31)(H,32,33)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304191
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(3- hydroxy-3- me...)
Show SMILES CC1(O)CC(CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)C1
Show InChI InChI=1S/C27H24ClF3N2O5/c1-27(37)11-14(12-27)10-19(25(34)32-17-5-2-15(3-6-17)26(35)36)21-9-4-16(13-33(21)38)22-18(24(30)31)7-8-20(28)23(22)29/h2-9,13-14,19,24,37H,10-12H2,1H3,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304204
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(2- (fluoromethyl...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2CF)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H21ClF4N2O4/c27-20-7-6-18(24(30)31)22(23(20)29)14-3-8-21(33(37)12-14)19(10-15-9-16(15)11-28)25(34)32-17-4-1-13(2-5-17)26(35)36/h1-8,12,15-16,19,24H,9-11H2,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304231
PNG
(2-(1-((4-carboxy-3- methylphenyl)amino)-3- cyclopr...)
Show SMILES Cc1cc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)ccc1C(O)=O
Show InChI InChI=1S/C26H22ClF3N2O4/c1-13-10-16(5-6-17(13)26(34)35)31-25(33)19(11-14-2-3-14)21-9-4-15(12-32(21)36)22-18(24(29)30)7-8-20(27)23(22)28/h4-10,12,14,19,24H,2-3,11H2,1H3,(H,31,33)(H,34,35)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304145
PNG
((+-)-2-(1-((4-carboxyphenyl)amino)-3-(3,3-difluoro...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC(F)(F)C2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C26H20ClF5N2O5/c27-18-6-8-20(39-25(29)30)21(22(18)28)15-3-7-19(34(38)12-15)17(9-13-10-26(31,32)11-13)23(35)33-16-4-1-14(2-5-16)24(36)37/h1-8,12-13,17,25H,9-11H2,(H,33,35)(H,36,37)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304179
PNG
(2-(1-((4-carboxyphenyl)amino)- 3-cyclopropyl-1-oxo...)
Show SMILES COc1cc(C(CC2CC2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])cc1-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H22ClF3N2O6/c1-37-21-11-19(32(36)12-17(21)22-20(38-26(29)30)9-8-18(27)23(22)28)16(10-13-2-3-13)24(33)31-15-6-4-14(5-7-15)25(34)35/h4-9,11-13,16,26H,2-3,10H2,1H3,(H,31,33)(H,34,35)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304176
PNG
((R)-2-(1-((4-carboxyphenyl)amino)-3-cyclopropyl-1-...)
Show SMILES Cc1cc(C(CC2CC2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])cc1-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H22ClF3N2O5/c1-13-10-20(32(36)12-18(13)22-21(37-26(29)30)9-8-19(27)23(22)28)17(11-14-2-3-14)24(33)31-16-6-4-15(5-7-16)25(34)35/h4-10,12,14,17,26H,2-3,11H2,1H3,(H,31,33)(H,34,35)
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n/an/a 11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304207
PNG
(2-(1-((4- carboxyphenyl)amino)-3- (2,3-dimethylcyc...)
Show SMILES CC1C(C)C1CC(C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C27H24ClF3N2O5/c1-13-14(2)18(13)11-19(25(34)32-17-6-3-15(4-7-17)26(35)36)21-9-5-16(12-33(21)37)23-22(38-27(30)31)10-8-20(28)24(23)29/h3-10,12-14,18-19,27H,11H2,1-2H3,(H,32,34)(H,35,36)
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n/an/a 11.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304126
PNG
((R)-trans-4-{[2-{5-[3-chloro-6-(difluoromethoxy)-2...)
Show SMILES O[C@H]1CC[C@H](C[C@@H](C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)CC1
Show InChI InChI=1S/C28H26ClF3N2O6/c29-21-10-12-23(40-28(31)32)24(25(21)30)17-5-11-22(34(39)14-17)20(13-15-1-8-19(35)9-2-15)26(36)33-18-6-3-16(4-7-18)27(37)38/h3-7,10-12,14-15,19-20,28,35H,1-2,8-9,13H2,(H,33,36)(H,37,38)/t15-,19-,20-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304139
PNG
(2-(1-((4- carboxyphenyl)amino)-3- ((1s,4s)-4-hydro...)
Show SMILES C[C@@]1(O)CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)CC1
Show InChI InChI=1S/C29H28ClF3N2O5/c1-29(39)12-10-16(11-13-29)14-21(27(36)34-19-5-2-17(3-6-19)28(37)38)23-9-4-18(15-35(23)40)24-20(26(32)33)7-8-22(30)25(24)31/h2-9,15-16,21,26,39H,10-14H2,1H3,(H,34,36)(H,37,38)/t16-,21?,29+
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n/an/a 12n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304149
PNG
((R)-4-[(3-bicyclo[1.1.1]pent-1-yl-2-{5-[3-chloro-6...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC23CC(C2)C3)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C27H22ClF3N2O5/c28-19-6-8-21(38-26(30)31)22(23(19)29)16-3-7-20(33(37)13-16)18(12-27-9-14(10-27)11-27)24(34)32-17-4-1-15(2-5-17)25(35)36/h1-8,13-14,18,26H,9-12H2,(H,32,34)(H,35,36)/t14?,18-,27?/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304185
PNG
(2-(1-((4- carboxyphenyl)amino)-3- (2,2-difluorocyc...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C25H18ClF5N2O4/c26-18-7-6-16(22(28)29)20(21(18)27)13-3-8-19(33(37)11-13)17(9-14-10-25(14,30)31)23(34)32-15-4-1-12(2-5-15)24(35)36/h1-8,11,14,17,22H,9-10H2,(H,32,34)(H,35,36)
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n/an/a 14.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304227
PNG
(2-(1-((4-carboxy-3- fluorophenyl)amino)-3- cyclopr...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1F
Show InChI InChI=1S/C25H19ClF4N2O4/c26-18-7-6-16(23(29)30)21(22(18)28)13-3-8-20(32(36)11-13)17(9-12-1-2-12)24(33)31-14-4-5-15(25(34)35)19(27)10-14/h3-8,10-12,17,23H,1-2,9H2,(H,31,33)(H,34,35)
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n/an/a 14.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304212
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(2- methylcyclobu...)
Show SMILES CC1CCC1CC(C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C27H24ClF3N2O5/c1-14-2-3-16(14)12-19(25(34)32-18-7-4-15(5-8-18)26(35)36)21-10-6-17(13-33(21)37)23-22(38-27(30)31)11-9-20(28)24(23)29/h4-11,13-14,16,19,27H,2-3,12H2,1H3,(H,32,34)(H,35,36)
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n/an/a 15.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304116
PNG
((R)- or (S)-2-(1-((4- carboxyphenyl)amino)-3-cyclo...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2C(F)(F)F)cc1
Show InChI InChI=1S/C25H20ClF3N2O4/c26-17-6-9-21(25(27,28)29)19(12-17)16-5-10-22(31(35)13-16)20(11-14-1-2-14)23(32)30-18-7-3-15(4-8-18)24(33)34/h3-10,12-14,20H,1-2,11H2,(H,30,32)(H,33,34)
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n/an/a 16n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304153
PNG
(2-((R)-1-((4- carboxyphenyl)amino)-3- ((1S,2R)-2- ...)
Show SMILES C[C@@H]1C[C@H]1C[C@@H](C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H22ClF3N2O5/c1-13-10-16(13)11-18(24(33)31-17-5-2-14(3-6-17)25(34)35)20-8-4-15(12-32(20)36)22-21(37-26(29)30)9-7-19(27)23(22)28/h2-9,12-13,16,18,26H,10-11H2,1H3,(H,31,33)(H,34,35)/t13-,16+,18-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304183
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(3- methylcyclobu...)
Show SMILES CC1CC(CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)(F)F)C1
Show InChI InChI=1S/C27H23ClF4N2O4/c1-14-10-15(11-14)12-19(25(35)33-18-5-2-16(3-6-18)26(36)37)22-9-4-17(13-34(22)38)23-20(27(30,31)32)7-8-21(28)24(23)29/h2-9,13-15,19H,10-12H2,1H3,(H,33,35)(H,36,37)
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n/an/a 19.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304142
PNG
(2-(1-((4- carboxyphenyl)amino)-3- ((1r,4r)-4-hydro...)
Show SMILES C[C@]1(O)CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)CC1
Show InChI InChI=1S/C29H28ClF3N2O5/c1-29(39)12-10-16(11-13-29)14-21(27(36)34-19-5-2-17(3-6-19)28(37)38)23-9-4-18(15-35(23)40)24-20(26(32)33)7-8-22(30)25(24)31/h2-9,15-16,21,26,39H,10-14H2,1H3,(H,34,36)(H,37,38)/t16-,21?,29-
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n/an/a 20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304106
PNG
((R)- or (S)-4-[(2-{5-[3-chloro-6- (difluoromethoxy...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CCC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C26H22ClF3N2O5/c27-19-9-11-21(37-26(29)30)22(23(19)28)16-6-10-20(32(36)13-16)18(12-14-2-1-3-14)24(33)31-17-7-4-15(5-8-17)25(34)35/h4-11,13-14,18,26H,1-3,12H2,(H,31,33)(H,34,35)
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n/an/a 20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304110
PNG
((R)- or (S)-4-[(2-{5-[3-chloro-6- (difluoromethoxy...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CCCC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C27H24ClF3N2O5/c28-20-10-12-22(38-27(30)31)23(24(20)29)17-7-11-21(33(37)14-17)19(13-15-3-1-2-4-15)25(34)32-18-8-5-16(6-9-18)26(35)36/h5-12,14-15,19,27H,1-4,13H2,(H,32,34)(H,35,36)
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n/an/a 20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304136
PNG
(2-(1-((4- carboxyphenyl)amino)-3- ((1r,4r)-4-hydro...)
Show SMILES C[C@]1(O)CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)CC1
Show InChI InChI=1S/C29H28ClF3N2O6/c1-29(39)12-10-16(11-13-29)14-20(26(36)34-19-5-2-17(3-6-19)27(37)38)22-8-4-18(15-35(22)40)24-23(41-28(32)33)9-7-21(30)25(24)31/h2-9,15-16,20,28,39H,10-14H2,1H3,(H,34,36)(H,37,38)/t16-,20?,29-
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304152
PNG
(2-((R)-1-((4- carboxyphenyl)amino)-3- ((1R,2S)-2- ...)
Show SMILES C[C@H]1C[C@@H]1C[C@@H](C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H22ClF3N2O5/c1-13-10-16(13)11-18(24(33)31-17-5-2-14(3-6-17)25(34)35)20-8-4-15(12-32(20)36)22-21(37-26(29)30)9-7-19(27)23(22)28/h2-9,12-13,16,18,26H,10-11H2,1H3,(H,31,33)(H,34,35)/t13-,16+,18+/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304220
PNG
(2-(1-((4- carboxyphenyl)amino)-3- (2,2-dimethylcyc...)
Show SMILES CC1(C)CC1CC(C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C27H24ClF3N2O5/c1-27(2)12-16(27)11-18(24(34)32-17-6-3-14(4-7-17)25(35)36)20-9-5-15(13-33(20)37)22-21(38-26(30)31)10-8-19(28)23(22)29/h3-10,13,16,18,26H,11-12H2,1-2H3,(H,32,34)(H,35,36)
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n/an/a 21.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304114
PNG
((R)-2-(1-((4-carboxyphenyl)amino)-3-cyclopropyl-1-...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C25H20ClF3N2O4/c26-19-9-8-17(23(28)29)21(22(19)27)15-5-10-20(31(35)12-15)18(11-13-1-2-13)24(32)30-16-6-3-14(4-7-16)25(33)34/h3-10,12-13,18,23H,1-2,11H2,(H,30,32)(H,33,34)/t18-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304107
PNG
((S)- or (R)-4-[(2-{5-[3-chloro-2- fluoro-6-(1- met...)
Show SMILES CC(C)Oc1ccc(Cl)c(F)c1-c1ccc(C(CC2CC2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])c1
Show InChI InChI=1S/C27H26ClFN2O5/c1-15(2)36-23-12-10-21(28)25(29)24(23)18-7-11-22(31(35)14-18)20(13-16-3-4-16)26(32)30-19-8-5-17(6-9-19)27(33)34/h5-12,14-16,20H,3-4,13H2,1-2H3,(H,30,32)(H,33,34)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304216
PNG
(2-(1-((4- carboxyphenyl)amino)-1- oxo-3-(2- (trifl...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C26H19ClF6N2O5/c27-18-6-8-20(40-25(29)30)21(22(18)28)13-3-7-19(35(39)11-13)16(9-14-10-17(14)26(31,32)33)23(36)34-15-4-1-12(2-5-15)24(37)38/h1-8,11,14,16-17,25H,9-10H2,(H,34,36)(H,37,38)
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n/an/a 24.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304232
PNG
(2-(3-(bicyclo[1.1.1]pentan- 1-yl)-1-((4-carboxy-3-...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC23CC(C2)C3)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1F
Show InChI InChI=1S/C27H21ClF4N2O4/c28-19-5-4-17(24(31)32)22(23(19)30)14-1-6-21(34(38)12-14)18(11-27-8-13(9-27)10-27)25(35)33-15-2-3-16(26(36)37)20(29)7-15/h1-7,12-13,18,24H,8-11H2,(H,33,35)(H,36,37)
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n/an/a 24.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304133
PNG
((R)-4-{[2-{5-[3-chloro-6-(difluoromethoxy)-2-fluor...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCC(F)(F)CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C28H24ClF5N2O5/c29-20-6-8-22(41-27(31)32)23(24(20)30)17-3-7-21(36(40)14-17)19(13-15-9-11-28(33,34)12-10-15)25(37)35-18-4-1-16(2-5-18)26(38)39/h1-8,14-15,19,27H,9-13H2,(H,35,37)(H,38,39)/t19-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304218
PNG
(2-(1-((4- carboxyphenyl)amino)-1- oxo-3-(2- (trifl...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C26H19ClF6N2O5/c27-18-6-8-20(40-25(29)30)21(22(18)28)13-3-7-19(35(39)11-13)16(9-14-10-17(14)26(31,32)33)23(36)34-15-4-1-12(2-5-15)24(37)38/h1-8,11,14,16-17,25H,9-10H2,(H,34,36)(H,37,38)
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n/an/a 25.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304127
PNG
((S)- or (R)-2-(1-((4- carboxyphenyl)amino)-3- ((1r...)
Show SMILES O[C@H]1CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)CC1
Show InChI InChI=1S/C28H26ClF3N2O5/c29-22-11-10-20(26(31)32)24(25(22)30)17-5-12-23(34(39)14-17)21(13-15-1-8-19(35)9-2-15)27(36)33-18-6-3-16(4-7-18)28(37)38/h3-7,10-12,14-15,19,21,26,35H,1-2,8-9,13H2,(H,33,36)(H,37,38)/t15-,19-,21?
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304200
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(2- fluorocyclopr...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C25H19ClF4N2O4/c26-18-7-6-16(23(29)30)21(22(18)28)13-3-8-20(32(36)11-13)17(9-14-10-19(14)27)24(33)31-15-4-1-12(2-5-15)25(34)35/h1-8,11,14,17,19,23H,9-10H2,(H,31,33)(H,34,35)
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n/an/a 27.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304202
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(2- fluorocyclopr...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C25H19ClF4N2O4/c26-18-7-6-16(23(29)30)21(22(18)28)13-3-8-20(32(36)11-13)17(9-14-10-19(14)27)24(33)31-15-4-1-12(2-5-15)25(34)35/h1-8,11,14,17,19,23H,9-10H2,(H,31,33)(H,34,35)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304122
PNG
(2-(1-((4-carboxyphenyl)amino)-3-(1- cyanocycloprop...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2(CC2)C#N)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H19ClF3N3O4/c27-19-7-6-17(23(29)30)21(22(19)28)15-3-8-20(33(37)12-15)18(11-26(13-31)9-10-26)24(34)32-16-4-1-14(2-5-16)25(35)36/h1-8,12,18,23H,9-11H2,(H,32,34)(H,35,36)
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n/an/a 31n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304211
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(3- fluorocyclobu...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC(F)C2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C26H21ClF4N2O5/c27-19-6-8-21(38-26(30)31)22(23(19)29)15-3-7-20(33(37)12-15)18(11-13-9-16(28)10-13)24(34)32-17-4-1-14(2-5-17)25(35)36/h1-8,12-13,16,18,26H,9-11H2,(H,32,34)(H,35,36)
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n/an/a 31.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304125
PNG
((S)-trans-4-{[2-{5-[3-chloro-6-(difluoromethoxy)-2...)
Show SMILES O[C@H]1CC[C@H](C[C@H](C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)CC1
Show InChI InChI=1S/C28H26ClF3N2O6/c29-21-10-12-23(40-28(31)32)24(25(21)30)17-5-11-22(34(39)14-17)20(13-15-1-8-19(35)9-2-15)26(36)33-18-6-3-16(4-7-18)27(37)38/h3-7,10-12,14-15,19-20,28,35H,1-2,8-9,13H2,(H,33,36)(H,37,38)/t15-,19-,20-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304134
PNG
(2-(1-((4- carboxyphenyl)amino)-3- ((1s,4s)-4-hydro...)
Show SMILES C[C@@]1(O)CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)CC1
Show InChI InChI=1S/C29H28ClF3N2O6/c1-29(39)12-10-16(11-13-29)14-20(26(36)34-19-5-2-17(3-6-19)27(37)38)22-8-4-18(15-35(22)40)24-23(41-28(32)33)9-7-21(30)25(24)31/h2-9,15-16,20,28,39H,10-14H2,1H3,(H,34,36)(H,37,38)/t16-,20?,29+
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304101
PNG
((S)- or (R)-4-({2-[5-(3-chloro-2- fluoro-6-methoxy...)
Show SMILES COc1ccc(Cl)c(F)c1-c1ccc(C(CC2CC2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])c1
Show InChI InChI=1S/C25H22ClFN2O5/c1-34-21-11-9-19(26)23(27)22(21)16-6-10-20(29(33)13-16)18(12-14-2-3-14)24(30)28-17-7-4-15(5-8-17)25(31)32/h4-11,13-14,18H,2-3,12H2,1H3,(H,28,30)(H,31,32)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304186
PNG
(2-(1-((4- carboxyphenyl)amino)-3- (2,2-difluorocyc...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C25H18ClF5N2O4/c26-18-7-6-16(22(28)29)20(21(18)27)13-3-8-19(33(37)11-13)17(9-14-10-25(14,30)31)23(34)32-15-4-1-12(2-5-15)24(35)36/h1-8,11,14,17,22H,9-10H2,(H,32,34)(H,35,36)
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n/an/a 37.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304191
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(3- hydroxy-3- me...)
Show SMILES CC1(O)CC(CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)C1
Show InChI InChI=1S/C27H24ClF3N2O5/c1-27(37)11-14(12-27)10-19(25(34)32-17-5-2-15(3-6-17)26(35)36)21-9-4-16(13-33(21)38)22-18(24(30)31)7-8-20(28)23(22)29/h2-9,13-14,19,24,37H,10-12H2,1H3,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304094
PNG
((S)-2-(1-((4-Carboxyphenyl)amino)-3-cyclobutyl-1-o...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@@H](CC2CCC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H22ClF3N2O4/c27-20-10-9-18(24(29)30)22(23(20)28)16-6-11-21(32(36)13-16)19(12-14-2-1-3-14)25(33)31-17-7-4-15(5-8-17)26(34)35/h4-11,13-14,19,24H,1-3,12H2,(H,31,33)(H,34,35)/t19-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304178
PNG
((R)-2-(1-((4-carboxyphenyl)amino)-3-cyclopropyl-1-...)
Show SMILES COc1cc([C@@H](CC2CC2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])cc1-c1c(F)c(Cl)ccc1C(F)F
Show InChI InChI=1S/C26H22ClF3N2O5/c1-37-21-11-20(32(36)12-18(21)22-16(24(29)30)8-9-19(27)23(22)28)17(10-13-2-3-13)25(33)31-15-6-4-14(5-7-15)26(34)35/h4-9,11-13,17,24H,2-3,10H2,1H3,(H,31,33)(H,34,35)/t17-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304105
PNG
((S)- or (R)-4-[(2-{5-[3-chloro-6- (difluoromethoxy...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CCC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C26H22ClF3N2O5/c27-19-9-11-21(37-26(29)30)22(23(19)28)16-6-10-20(32(36)13-16)18(12-14-2-1-3-14)24(33)31-17-7-4-15(5-8-17)25(34)35/h4-11,13-14,18,26H,1-3,12H2,(H,31,33)(H,34,35)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304147
PNG
((R)-2-(1-((4-carboxyphenyl)amino)-3-(3,3-difluoroc...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CC(F)(F)C2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C26H20ClF5N2O5/c27-18-6-8-20(39-25(29)30)21(22(18)28)15-3-7-19(34(38)12-15)17(9-13-10-26(31,32)11-13)23(35)33-16-4-1-14(2-5-16)24(36)37/h1-8,12-13,17,25H,9-11H2,(H,33,35)(H,36,37)/t17-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304174
PNG
(2-((2R)-1-((4- carboxyphenyl)amino)-3-(2- methylcy...)
Show SMILES CC1CC1C[C@@H](C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1C(F)(F)F
Show InChI InChI=1S/C26H21ClF4N2O4/c1-13-10-16(13)11-18(24(34)32-17-5-2-14(3-6-17)25(35)36)21-9-4-15(12-33(21)37)22-19(26(29,30)31)7-8-20(27)23(22)28/h2-9,12-13,16,18H,10-11H2,1H3,(H,32,34)(H,35,36)/t13?,16?,18-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304132
PNG
((S)-4-{[2-{5-[3-chloro-6-(difluoromethoxy)-2-fluor...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@@H](CC2CCC(F)(F)CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C28H24ClF5N2O5/c29-20-6-8-22(41-27(31)32)23(24(20)30)17-3-7-21(36(40)14-17)19(13-15-9-11-28(33,34)12-10-15)25(37)35-18-4-1-16(2-5-18)26(38)39/h1-8,14-15,19,27H,9-13H2,(H,35,37)(H,38,39)/t19-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304170
PNG
(2-((2S)-1-((4- carboxyphenyl)amino)-3-(2- methylcy...)
Show SMILES CC1CC1C[C@H](C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1C(F)F
Show InChI InChI=1S/C26H22ClF3N2O4/c1-13-10-16(13)11-19(25(33)31-17-5-2-14(3-6-17)26(34)35)21-9-4-15(12-32(21)36)22-18(24(29)30)7-8-20(27)23(22)28/h2-9,12-13,16,19,24H,10-11H2,1H3,(H,31,33)(H,34,35)/t13?,16?,19-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304226
PNG
(2-(1-((4-carboxy-3- fluorophenyl)amino)-3- cyclopr...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1F
Show InChI InChI=1S/C25H19ClF4N2O4/c26-18-7-6-16(23(29)30)21(22(18)28)13-3-8-20(32(36)11-13)17(9-12-1-2-12)24(33)31-14-4-5-15(25(34)35)19(27)10-14/h3-8,10-12,17,23H,1-2,9H2,(H,31,33)(H,34,35)
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n/an/a 58.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304212
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(2- methylcyclobu...)
Show SMILES CC1CCC1CC(C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C27H24ClF3N2O5/c1-14-2-3-16(14)12-19(25(34)32-18-7-4-15(5-8-18)26(35)36)21-10-6-17(13-33(21)37)23-22(38-27(30)31)11-9-20(28)24(23)29/h4-11,13-14,16,19,27H,2-3,12H2,1H3,(H,32,34)(H,35,36)
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n/an/a 59.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304154
PNG
(2-(1-((4- carboxyphenyl)amino)-3- cyclopropyl-1-ox...)
Show SMILES CC(C(C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F)C1CC1
Show InChI InChI=1S/C26H22ClF3N2O5/c1-13(14-2-3-14)21(24(33)31-17-7-4-15(5-8-17)25(34)35)19-10-6-16(12-32(19)36)22-20(37-26(29)30)11-9-18(27)23(22)28/h4-14,21,26H,2-3H2,1H3,(H,31,33)(H,34,35)
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n/an/a 62n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304188
PNG
(2-(1-((4- carboxyphenyl)amino)-3- (2,2-difluorocyc...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C25H18ClF5N2O4/c26-18-7-6-16(22(28)29)20(21(18)27)13-3-8-19(33(37)11-13)17(9-14-10-25(14,30)31)23(34)32-15-4-1-12(2-5-15)24(35)36/h1-8,11,14,17,22H,9-10H2,(H,32,34)(H,35,36)
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n/an/a 65.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304231
PNG
(2-(1-((4-carboxy-3- methylphenyl)amino)-3- cyclopr...)
Show SMILES Cc1cc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)ccc1C(O)=O
Show InChI InChI=1S/C26H22ClF3N2O4/c1-13-10-16(5-6-17(13)26(34)35)31-25(33)19(11-14-2-3-14)21-9-4-15(12-32(21)36)22-18(24(29)30)7-8-20(27)23(22)28/h4-10,12,14,19,24H,2-3,11H2,1H3,(H,31,33)(H,34,35)
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n/an/a 69.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304183
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(3- methylcyclobu...)
Show SMILES CC1CC(CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)(F)F)C1
Show InChI InChI=1S/C27H23ClF4N2O4/c1-14-10-15(11-14)12-19(25(35)33-18-5-2-16(3-6-18)26(36)37)22-9-4-17(13-34(22)38)23-20(27(30,31)32)7-8-21(28)24(23)29/h2-9,13-15,19H,10-12H2,1H3,(H,33,35)(H,36,37)
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n/an/a 77.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304093
PNG
((S)-2-(1-((4-carboxyphenyl)amino)-3-cyclopropyl-1-...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@@H](CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C25H20ClF3N2O5/c26-18-8-10-20(36-25(28)29)21(22(18)27)15-5-9-19(31(35)12-15)17(11-13-1-2-13)23(32)30-16-6-3-14(4-7-16)24(33)34/h3-10,12-13,17,25H,1-2,11H2,(H,30,32)(H,33,34)/t17-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304191
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(3- hydroxy-3- me...)
Show SMILES CC1(O)CC(CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)C1
Show InChI InChI=1S/C27H24ClF3N2O5/c1-27(37)11-14(12-27)10-19(25(34)32-17-5-2-15(3-6-17)26(35)36)21-9-4-16(13-33(21)38)22-18(24(30)31)7-8-20(28)23(22)29/h2-9,13-14,19,24,37H,10-12H2,1H3,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304228
PNG
(2-(1-((4-carboxy-3- fluorophenyl)amino)-3- cyclobu...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CCC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1F
Show InChI InChI=1S/C26H21ClF4N2O4/c27-19-8-7-17(24(30)31)22(23(19)29)14-4-9-21(33(37)12-14)18(10-13-2-1-3-13)25(34)32-15-5-6-16(26(35)36)20(28)11-15/h4-9,11-13,18,24H,1-3,10H2,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304124
PNG
((R)-4-{[2-{5-[3-chloro-6-(difluoromethoxy)-2-fluor...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCC(=O)CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C28H24ClF3N2O6/c29-21-10-12-23(40-28(31)32)24(25(21)30)17-5-11-22(34(39)14-17)20(13-15-1-8-19(35)9-2-15)26(36)33-18-6-3-16(4-7-18)27(37)38/h3-7,10-12,14-15,20,28H,1-2,8-9,13H2,(H,33,36)(H,37,38)/t20-/m1/s1
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n/an/a 81n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304111
PNG
((S)- or (R)-methyl 4-[(2-{5-[3-chloro- 6-(difluoro...)
Show SMILES COC(=O)c1ccc(NC(=O)C(CC2CCC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C27H24ClF3N2O4/c1-37-27(35)16-5-8-18(9-6-16)32-26(34)20(13-15-3-2-4-15)22-12-7-17(14-33(22)36)23-19(25(30)31)10-11-21(28)24(23)29/h5-12,14-15,20,25H,2-4,13H2,1H3,(H,32,34)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304120
PNG
((R)- or (S)-2-(1-((4- carboxyphenyl)amino)-3-cyclo...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C25H21ClF2N2O4/c26-17-6-9-19(23(27)28)20(12-17)16-5-10-22(30(34)13-16)21(11-14-1-2-14)24(31)29-18-7-3-15(4-8-18)25(32)33/h3-10,12-14,21,23H,1-2,11H2,(H,29,31)(H,32,33)
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n/an/a 84n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304182
PNG
((R)-4-[(2-{5-[3-chloro-6-(difluoromethoxy)-2-fluor...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1F
Show InChI InChI=1S/C25H19ClF4N2O5/c26-17-6-8-20(37-25(29)30)21(22(17)28)13-3-7-19(32(36)11-13)16(9-12-1-2-12)23(33)31-14-4-5-15(24(34)35)18(27)10-14/h3-8,10-12,16,25H,1-2,9H2,(H,31,33)(H,34,35)/t16-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304207
PNG
(2-(1-((4- carboxyphenyl)amino)-3- (2,3-dimethylcyc...)
Show SMILES CC1C(C)C1CC(C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C27H24ClF3N2O5/c1-13-14(2)18(13)11-19(25(34)32-17-6-3-15(4-7-17)26(35)36)21-9-5-16(12-33(21)37)23-22(38-27(30)31)10-8-20(28)24(23)29/h3-10,12-14,18-19,27H,11H2,1-2H3,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304195
PNG
(2-(1-((4- carboxyphenyl)amino)-1- oxo-3-(2- (trifl...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H19ClF6N2O4/c27-19-7-6-16(23(29)30)21(22(19)28)13-3-8-20(35(39)11-13)17(9-14-10-18(14)26(31,32)33)24(36)34-15-4-1-12(2-5-15)25(37)38/h1-8,11,14,17-18,23H,9-10H2,(H,34,36)(H,37,38)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304109
PNG
((S)- or (R)-4-[(2-{5-[3-chloro-6- (difluoromethoxy...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CCCC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C27H24ClF3N2O5/c28-20-10-12-22(38-27(30)31)23(24(20)29)17-7-11-21(33(37)14-17)19(13-15-3-1-2-4-15)25(34)32-18-8-5-16(6-9-18)26(35)36/h5-12,14-15,19,27H,1-4,13H2,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304217
PNG
(2-(1-((4- carboxyphenyl)amino)-1- oxo-3-(2- (trifl...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C26H19ClF6N2O5/c27-18-6-8-20(40-25(29)30)21(22(18)28)13-3-7-19(35(39)11-13)16(9-14-10-17(14)26(31,32)33)23(36)34-15-4-1-12(2-5-15)24(37)38/h1-8,11,14,16-17,25H,9-10H2,(H,34,36)(H,37,38)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304142
PNG
(2-(1-((4- carboxyphenyl)amino)-3- ((1r,4r)-4-hydro...)
Show SMILES C[C@]1(O)CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)CC1
Show InChI InChI=1S/C29H28ClF3N2O5/c1-29(39)12-10-16(11-13-29)14-21(27(36)34-19-5-2-17(3-6-19)28(37)38)23-9-4-18(15-35(23)40)24-20(26(32)33)7-8-22(30)25(24)31/h2-9,15-16,21,26,39H,10-14H2,1H3,(H,34,36)(H,37,38)/t16-,21?,29-
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304187
PNG
(2-(1-((4- carboxyphenyl)amino)-3- (2,2-difluorocyc...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C25H18ClF5N2O4/c26-18-7-6-16(22(28)29)20(21(18)27)13-3-8-19(33(37)11-13)17(9-14-10-25(14,30)31)23(34)32-15-4-1-12(2-5-15)24(35)36/h1-8,11,14,17,22H,9-10H2,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304191
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(3- hydroxy-3- me...)
Show SMILES CC1(O)CC(CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)C1
Show InChI InChI=1S/C27H24ClF3N2O5/c1-27(37)11-14(12-27)10-19(25(34)32-17-5-2-15(3-6-17)26(35)36)21-9-4-16(13-33(21)38)22-18(24(30)31)7-8-20(28)23(22)29/h2-9,13-14,19,24,37H,10-12H2,1H3,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304207
PNG
(2-(1-((4- carboxyphenyl)amino)-3- (2,3-dimethylcyc...)
Show SMILES CC1C(C)C1CC(C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C27H24ClF3N2O5/c1-13-14(2)18(13)11-19(25(34)32-17-6-3-15(4-7-17)26(35)36)21-9-5-16(12-33(21)37)23-22(38-27(30)31)10-8-20(28)24(23)29/h3-10,12-14,18-19,27H,11H2,1-2H3,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304206
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(2- (fluoromethyl...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2CF)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H21ClF4N2O4/c27-20-7-6-18(24(30)31)22(23(20)29)14-3-8-21(33(37)12-14)19(10-15-9-16(15)11-28)25(34)32-17-4-1-13(2-5-17)26(35)36/h1-8,12,15-16,19,24H,9-11H2,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304212
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(2- methylcyclobu...)
Show SMILES CC1CCC1CC(C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C27H24ClF3N2O5/c1-14-2-3-16(14)12-19(25(34)32-18-7-4-15(5-8-18)26(35)36)21-10-6-17(13-33(21)37)23-22(38-27(30)31)11-9-20(28)24(23)29/h4-11,13-14,16,19,27H,2-3,12H2,1H3,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304121
PNG
(2-(1-((4-carboxyphenyl)amino)-3-(1- cyanocycloprop...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2(CC2)C#N)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)(F)F)cc1
Show InChI InChI=1S/C26H18ClF4N3O4/c27-19-7-6-18(26(29,30)31)21(22(19)28)15-3-8-20(34(38)12-15)17(11-25(13-32)9-10-25)23(35)33-16-4-1-14(2-5-16)24(36)37/h1-8,12,17H,9-11H2,(H,33,35)(H,36,37)
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n/an/a 155n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304150
PNG
(2-((2S)-1-((4- carboxyphenyl)amino)-3-(2- methylcy...)
Show SMILES CC1CC1C[C@H](C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H22ClF3N2O5/c1-13-10-16(13)11-18(24(33)31-17-5-2-14(3-6-17)25(34)35)20-8-4-15(12-32(20)36)22-21(37-26(29)30)9-7-19(27)23(22)28/h2-9,12-13,16,18,26H,10-11H2,1H3,(H,31,33)(H,34,35)/t13?,16?,18-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304220
PNG
(2-(1-((4- carboxyphenyl)amino)-3- (2,2-dimethylcyc...)
Show SMILES CC1(C)CC1CC(C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C27H24ClF3N2O5/c1-27(2)12-16(27)11-18(24(34)32-17-6-3-14(4-7-17)25(35)36)20-9-5-15(13-33(20)37)22-21(38-26(30)31)10-8-19(28)23(22)29/h3-10,13,16,18,26H,11-12H2,1-2H3,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304118
PNG
((R)- or (S)-2-(1-((4- carboxyphenyl)amino)-3-cyclo...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)(F)F)cc1
Show InChI InChI=1S/C25H19ClF4N2O4/c26-19-9-8-18(25(28,29)30)21(22(19)27)15-5-10-20(32(36)12-15)17(11-13-1-2-13)23(33)31-16-6-3-14(4-7-16)24(34)35/h3-10,12-13,17H,1-2,11H2,(H,31,33)(H,34,35)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304096
PNG
((R)-5-(3-chloro-6-(difluoromethyl)-2-fluorophenyl)...)
Show SMILES CCOC(=O)c1ccc(NC(=O)[C@H](CC2CCC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C28H26ClF3N2O4/c1-2-38-28(36)17-6-9-19(10-7-17)33-27(35)21(14-16-4-3-5-16)23-13-8-18(15-34(23)37)24-20(26(31)32)11-12-22(29)25(24)30/h6-13,15-16,21,26H,2-5,14H2,1H3,(H,33,35)/t21-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304173
PNG
(2-((2S)-1-((4- carboxyphenyl)amino)-3-(2- methylcy...)
Show SMILES CC1CC1C[C@H](C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1C(F)(F)F
Show InChI InChI=1S/C26H21ClF4N2O4/c1-13-10-16(13)11-18(24(34)32-17-5-2-14(3-6-17)25(35)36)21-9-4-15(12-33(21)37)22-19(26(29,30)31)7-8-20(27)23(22)28/h2-9,12-13,16,18H,10-11H2,1H3,(H,32,34)(H,35,36)/t13?,16?,18-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304181
PNG
((S)-4-[(2-{5-[3-chloro-6-(difluoromethoxy)-2-fluor...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@@H](CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1F
Show InChI InChI=1S/C25H19ClF4N2O5/c26-17-6-8-20(37-25(29)30)21(22(17)28)13-3-7-19(32(36)11-13)16(9-12-1-2-12)23(33)31-14-4-5-15(24(34)35)18(27)10-14/h3-8,10-12,16,25H,1-2,9H2,(H,31,33)(H,34,35)/t16-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304177
PNG
((S)-2-(1-((4-carboxyphenyl)amino)-3-cyclopropyl-1-...)
Show SMILES COc1cc([C@H](CC2CC2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])cc1-c1c(F)c(Cl)ccc1C(F)F
Show InChI InChI=1S/C26H22ClF3N2O5/c1-37-21-11-20(32(36)12-18(21)22-16(24(29)30)8-9-19(27)23(22)28)17(10-13-2-3-13)25(33)31-15-6-4-14(5-7-15)26(34)35/h4-9,11-13,17,24H,2-3,10H2,1H3,(H,31,33)(H,34,35)/t17-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304222
PNG
(5-(3-chloro-6- (difluoromethyl)-2- fluorophenyl)-2...)
Show SMILES COC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H22ClF3N2O4/c1-36-26(34)15-4-7-17(8-5-15)31-25(33)19(12-14-2-3-14)21-11-6-16(13-32(21)35)22-18(24(29)30)9-10-20(27)23(22)28/h4-11,13-14,19,24H,2-3,12H2,1H3,(H,31,33)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304136
PNG
(2-(1-((4- carboxyphenyl)amino)-3- ((1r,4r)-4-hydro...)
Show SMILES C[C@]1(O)CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)CC1
Show InChI InChI=1S/C29H28ClF3N2O6/c1-29(39)12-10-16(11-13-29)14-20(26(36)34-19-5-2-17(3-6-19)27(37)38)22-8-4-18(15-35(22)40)24-23(41-28(32)33)9-7-21(30)25(24)31/h2-9,15-16,20,28,39H,10-14H2,1H3,(H,34,36)(H,37,38)/t16-,20?,29-
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304148
PNG
((S)-4-[(3-bicyclo[1.1.1]pent-1-yl-2-{5-[3-chloro-6...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@@H](CC23CC(C2)C3)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C27H22ClF3N2O5/c28-19-6-8-21(38-26(30)31)22(23(19)29)16-3-7-20(33(37)13-16)18(12-27-9-14(10-27)11-27)24(34)32-17-4-1-15(2-5-17)25(35)36/h1-8,13-14,18,26H,9-12H2,(H,32,34)(H,35,36)/t14?,18-,27?/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304113
PNG
((S)-2-(1-((4-carboxyphenyl)amino)-3-cyclopropyl-1-...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@@H](CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C25H20ClF3N2O4/c26-19-9-8-17(23(28)29)21(22(19)27)15-5-10-20(31(35)12-15)18(11-13-1-2-13)24(32)30-16-6-3-14(4-7-16)25(33)34/h3-10,12-13,18,23H,1-2,11H2,(H,30,32)(H,33,34)/t18-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304201
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(2- fluorocyclopr...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C25H19ClF4N2O4/c26-18-7-6-16(23(29)30)21(22(18)28)13-3-8-20(32(36)11-13)17(9-14-10-19(14)27)24(33)31-15-4-1-12(2-5-15)25(34)35/h1-8,11,14,17,19,23H,9-10H2,(H,31,33)(H,34,35)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304098
PNG
((R)- or (S)-4-[(2-{5-[5-chloro-2- (difluoromethoxy...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C25H21ClF2N2O5/c26-17-6-10-22(35-25(27)28)19(12-17)16-5-9-21(30(34)13-16)20(11-14-1-2-14)23(31)29-18-7-3-15(4-8-18)24(32)33/h3-10,12-14,20,25H,1-2,11H2,(H,29,31)(H,32,33)
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n/an/a 265n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304154
PNG
(2-(1-((4- carboxyphenyl)amino)-3- cyclopropyl-1-ox...)
Show SMILES CC(C(C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F)C1CC1
Show InChI InChI=1S/C26H22ClF3N2O5/c1-13(14-2-3-14)21(24(33)31-17-7-4-15(5-8-17)25(34)35)19-10-6-16(12-32(19)36)22-20(37-26(29)30)11-9-18(27)23(22)28/h4-14,21,26H,2-3H2,1H3,(H,31,33)(H,34,35)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304119
PNG
((S)- or (R)-2-(1-((4- carboxyphenyl)amino)-3-cyclo...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C25H21ClF2N2O4/c26-17-6-9-19(23(27)28)20(12-17)16-5-10-22(30(34)13-16)21(11-14-1-2-14)24(31)29-18-7-3-15(4-8-18)25(32)33/h3-10,12-14,21,23H,1-2,11H2,(H,29,31)(H,32,33)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304139
PNG
(2-(1-((4- carboxyphenyl)amino)-3- ((1s,4s)-4-hydro...)
Show SMILES C[C@@]1(O)CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)CC1
Show InChI InChI=1S/C29H28ClF3N2O5/c1-29(39)12-10-16(11-13-29)14-21(27(36)34-19-5-2-17(3-6-19)28(37)38)23-9-4-18(15-35(23)40)24-20(26(32)33)7-8-22(30)25(24)31/h2-9,15-16,21,26,39H,10-14H2,1H3,(H,34,36)(H,37,38)/t16-,21?,29+
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304154
PNG
(2-(1-((4- carboxyphenyl)amino)-3- cyclopropyl-1-ox...)
Show SMILES CC(C(C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F)C1CC1
Show InChI InChI=1S/C26H22ClF3N2O5/c1-13(14-2-3-14)21(24(33)31-17-7-4-15(5-8-17)25(34)35)19-10-6-16(12-32(19)36)22-20(37-26(29)30)11-9-18(27)23(22)28/h4-14,21,26H,2-3H2,1H3,(H,31,33)(H,34,35)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304150
PNG
(2-((2S)-1-((4- carboxyphenyl)amino)-3-(2- methylcy...)
Show SMILES CC1CC1C[C@H](C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H22ClF3N2O5/c1-13-10-16(13)11-18(24(33)31-17-5-2-14(3-6-17)25(34)35)20-8-4-15(12-32(20)36)22-21(37-26(29)30)9-7-19(27)23(22)28/h2-9,12-13,16,18,26H,10-11H2,1H3,(H,31,33)(H,34,35)/t13?,16?,18-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304123
PNG
((S)-4-{[2-{5-[3-chloro-6-(difluoromethoxy)-2-fluor...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@@H](CC2CCC(=O)CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C28H24ClF3N2O6/c29-21-10-12-23(40-28(31)32)24(25(21)30)17-5-11-22(34(39)14-17)20(13-15-1-8-19(35)9-2-15)26(36)33-18-6-3-16(4-7-18)27(37)38/h3-7,10-12,14-15,20,28H,1-2,8-9,13H2,(H,33,36)(H,37,38)/t20-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304189
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(3- fluorocyclobu...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC(F)C2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H21ClF4N2O4/c27-20-7-6-18(24(30)31)22(23(20)29)15-3-8-21(33(37)12-15)19(11-13-9-16(28)10-13)25(34)32-17-4-1-14(2-5-17)26(35)36/h1-8,12-13,16,19,24H,9-11H2,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304205
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(2- (fluoromethyl...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2CF)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H21ClF4N2O4/c27-20-7-6-18(24(30)31)22(23(20)29)14-3-8-21(33(37)12-14)19(10-15-9-16(15)11-28)25(34)32-17-4-1-13(2-5-17)26(35)36/h1-8,12,15-16,19,24H,9-11H2,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304230
PNG
(2-(1-((4-carboxy-3- methylphenyl)amino)-3- cyclopr...)
Show SMILES Cc1cc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)ccc1C(O)=O
Show InChI InChI=1S/C26H22ClF3N2O4/c1-13-10-16(5-6-17(13)26(34)35)31-25(33)19(11-14-2-3-14)21-9-4-15(12-32(21)36)22-18(24(29)30)7-8-20(27)23(22)28/h4-10,12,14,19,24H,2-3,11H2,1H3,(H,31,33)(H,34,35)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304116
PNG
((R)- or (S)-2-(1-((4- carboxyphenyl)amino)-3-cyclo...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2C(F)(F)F)cc1
Show InChI InChI=1S/C25H20ClF3N2O4/c26-17-6-9-21(25(27,28)29)19(12-17)16-5-10-22(31(35)13-16)20(11-14-1-2-14)23(32)30-18-7-3-15(4-8-18)24(33)34/h3-10,12-14,20H,1-2,11H2,(H,30,32)(H,33,34)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304099
PNG
((S)- or (R)-4-({2-[5-(3-chloro-6- ethoxy-2-fluorop...)
Show SMILES CCOc1ccc(Cl)c(F)c1-c1ccc(C(CC2CC2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])c1
Show InChI InChI=1S/C26H24ClFN2O5/c1-2-35-22-12-10-20(27)24(28)23(22)17-7-11-21(30(34)14-17)19(13-15-3-4-15)25(31)29-18-8-5-16(6-9-18)26(32)33/h5-12,14-15,19H,2-4,13H2,1H3,(H,29,31)(H,32,33)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304224
PNG
(5-(3-chloro-6- (difluoromethyl)-2- fluorophenyl)-2...)
Show SMILES CCOC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C27H24ClF3N2O4/c1-2-37-27(35)16-5-8-18(9-6-16)32-26(34)20(13-15-3-4-15)22-12-7-17(14-33(22)36)23-19(25(30)31)10-11-21(28)24(23)29/h5-12,14-15,20,25H,2-4,13H2,1H3,(H,32,34)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304099
PNG
((S)- or (R)-4-({2-[5-(3-chloro-6- ethoxy-2-fluorop...)
Show SMILES CCOc1ccc(Cl)c(F)c1-c1ccc(C(CC2CC2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])c1
Show InChI InChI=1S/C26H24ClFN2O5/c1-2-35-22-12-10-20(27)24(28)23(22)17-7-11-21(30(34)14-17)19(13-15-3-4-15)25(31)29-18-8-5-16(6-9-18)26(32)33/h5-12,14-15,19H,2-4,13H2,1H3,(H,29,31)(H,32,33)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM304104
PNG
((R)-4-[(2-{5-[3-chloro-6- (cyclopropylmethoxy)-2- ...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OCC2CC2)cc1
Show InChI InChI=1S/C28H26ClFN2O5/c29-22-10-12-24(37-15-17-3-4-17)25(26(22)30)19-7-11-23(32(36)14-19)21(13-16-1-2-16)27(33)31-20-8-5-18(6-9-20)28(34)35/h5-12,14,16-17,21H,1-4,13,15H2,(H,31,33)(H,34,35)/t21-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304224
PNG
(5-(3-chloro-6- (difluoromethyl)-2- fluorophenyl)-2...)
Show SMILES CCOC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C27H24ClF3N2O4/c1-2-37-27(35)16-5-8-18(9-6-16)32-26(34)20(13-15-3-4-15)22-12-7-17(14-33(22)36)23-19(25(30)31)10-11-21(28)24(23)29/h5-12,14-15,20,25H,2-4,13H2,1H3,(H,32,34)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304222
PNG
(5-(3-chloro-6- (difluoromethyl)-2- fluorophenyl)-2...)
Show SMILES COC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H22ClF3N2O4/c1-36-26(34)15-4-7-17(8-5-15)31-25(33)19(12-14-2-3-14)21-11-6-16(13-32(21)35)22-18(24(29)30)9-10-20(27)23(22)28/h4-11,13-14,19,24H,2-3,12H2,1H3,(H,31,33)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304146
PNG
((S)-2-(1-((4-carboxyphenyl)amino)-3-(3,3-difluoroc...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@@H](CC2CC(F)(F)C2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C26H20ClF5N2O5/c27-18-6-8-20(39-25(29)30)21(22(18)28)15-3-7-19(34(38)12-15)17(9-13-10-26(31,32)11-13)23(35)33-16-4-1-14(2-5-16)24(36)37/h1-8,12-13,17,25H,9-11H2,(H,33,35)(H,36,37)/t17-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304154
PNG
(2-(1-((4- carboxyphenyl)amino)-3- cyclopropyl-1-ox...)
Show SMILES CC(C(C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F)C1CC1
Show InChI InChI=1S/C26H22ClF3N2O5/c1-13(14-2-3-14)21(24(33)31-17-7-4-15(5-8-17)25(34)35)19-10-6-16(12-32(19)36)22-20(37-26(29)30)11-9-18(27)23(22)28/h4-14,21,26H,2-3H2,1H3,(H,31,33)(H,34,35)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304175
PNG
((S)-2-(1-((4-carboxyphenyl)amino)-3-cyclopropyl-1-...)
Show SMILES Cc1cc([C@@H](CC2CC2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])cc1-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H22ClF3N2O5/c1-13-10-20(32(36)12-18(13)22-21(37-26(29)30)9-8-19(27)23(22)28)17(11-14-2-3-14)24(33)31-16-6-4-15(5-7-16)25(34)35/h4-10,12,14,17,26H,2-3,11H2,1H3,(H,31,33)(H,34,35)/t17-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304111
PNG
((S)- or (R)-methyl 4-[(2-{5-[3-chloro- 6-(difluoro...)
Show SMILES COC(=O)c1ccc(NC(=O)C(CC2CCC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C27H24ClF3N2O4/c1-37-27(35)16-5-8-18(9-6-16)32-26(34)20(13-15-3-2-4-15)22-12-7-17(14-33(22)36)23-19(25(30)31)10-11-21(28)24(23)29/h5-12,14-15,20,25H,2-4,13H2,1H3,(H,32,34)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304107
PNG
((S)- or (R)-4-[(2-{5-[3-chloro-2- fluoro-6-(1- met...)
Show SMILES CC(C)Oc1ccc(Cl)c(F)c1-c1ccc(C(CC2CC2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])c1
Show InChI InChI=1S/C27H26ClFN2O5/c1-15(2)36-23-12-10-21(28)25(29)24(23)18-7-11-22(31(35)14-18)20(13-16-3-4-16)26(32)30-19-8-5-17(6-9-19)27(33)34/h5-12,14-16,20H,3-4,13H2,1-2H3,(H,30,32)(H,33,34)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304219
PNG
(2-(1-((4- carboxyphenyl)amino)-1- oxo-3-(2- (trifl...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C26H19ClF6N2O5/c27-18-6-8-20(40-25(29)30)21(22(18)28)13-3-7-19(35(39)11-13)16(9-14-10-17(14)26(31,32)33)23(36)34-15-4-1-12(2-5-15)24(37)38/h1-8,11,14,16-17,25H,9-10H2,(H,34,36)(H,37,38)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304210
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(3- fluorocyclobu...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC(F)C2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C26H21ClF4N2O5/c27-19-6-8-21(38-26(30)31)22(23(19)29)15-3-7-20(33(37)12-15)18(11-13-9-16(28)10-13)24(34)32-17-4-1-14(2-5-17)25(35)36/h1-8,12-13,16,18,26H,9-11H2,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304092
PNG
((R)-2-(1-((4-carboxyphenyl)amino)-3-cyclopropyl-1-...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@@H](CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C25H20ClF3N2O5/c26-18-8-10-20(36-25(28)29)21(22(18)27)15-5-9-19(31(35)12-15)17(11-13-1-2-13)23(32)30-16-6-3-14(4-7-16)24(33)34/h3-10,12-13,17,25H,1-2,11H2,(H,30,32)(H,33,34)/t17-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304212
PNG
(2-(1-((4- carboxyphenyl)amino)-3-(2- methylcyclobu...)
Show SMILES CC1CCC1CC(C(=O)Nc1ccc(cc1)C(O)=O)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1OC(F)F
Show InChI InChI=1S/C27H24ClF3N2O5/c1-14-2-3-16(14)12-19(25(34)32-18-7-4-15(5-8-18)26(35)36)21-10-6-17(13-33(21)37)23-22(38-27(30)31)11-9-20(28)24(23)29/h4-11,13-14,16,19,27H,2-3,12H2,1H3,(H,32,34)(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304097
PNG
((S)- or (R)-4-[(2-{5-[5-chloro-2- (difluoromethoxy...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2OC(F)F)cc1
Show InChI InChI=1S/C25H21ClF2N2O5/c26-17-6-10-22(35-25(27)28)19(12-17)16-5-9-21(30(34)13-16)20(11-14-1-2-14)23(31)29-18-7-3-15(4-8-18)24(32)33/h3-10,12-14,20,25H,1-2,11H2,(H,29,31)(H,32,33)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304117
PNG
((S)- or (R)-2-(1-((4- carboxyphenyl)amino)-3-cyclo...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)(F)F)cc1
Show InChI InChI=1S/C25H19ClF4N2O4/c26-19-9-8-18(25(28,29)30)21(22(19)27)15-5-10-20(32(36)12-15)17(11-13-1-2-13)23(33)31-16-6-3-14(4-7-16)24(34)35/h3-10,12-13,17H,1-2,11H2,(H,31,33)(H,34,35)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304103
PNG
((S)-4-[(2-{5-[3-chloro-6- (cyclopropylmethoxy)-2- ...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@@H](CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OCC2CC2)cc1
Show InChI InChI=1S/C28H26ClFN2O5/c29-22-10-12-24(37-15-17-3-4-17)25(26(22)30)19-7-11-23(32(36)14-19)21(13-16-1-2-16)27(33)31-20-8-5-18(6-9-20)28(34)35/h5-12,14,16-17,21H,1-4,13,15H2,(H,31,33)(H,34,35)/t21-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304222
PNG
(5-(3-chloro-6- (difluoromethyl)-2- fluorophenyl)-2...)
Show SMILES COC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1
Show InChI InChI=1S/C26H22ClF3N2O4/c1-36-26(34)15-4-7-17(8-5-15)31-25(33)19(12-14-2-3-14)21-11-6-16(13-32(21)35)22-18(24(29)30)9-10-20(27)23(22)28/h4-11,13-14,19,24H,2-3,12H2,1H3,(H,31,33)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304135
PNG
(2-(1-((4- carboxyphenyl)amino)-3- ((1s,4s)-4-hydro...)
Show SMILES C[C@@]1(O)CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)CC1
Show InChI InChI=1S/C29H28ClF3N2O6/c1-29(39)12-10-16(11-13-29)14-20(26(36)34-19-5-2-17(3-6-19)27(37)38)22-8-4-18(15-35(22)40)24-23(41-28(32)33)9-7-21(30)25(24)31/h2-9,15-16,20,28,39H,10-14H2,1H3,(H,34,36)(H,37,38)/t16-,20?,29+
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304115
PNG
((S)- or (R)-2-(1-((4- carboxyphenyl)amino)-3-cyclo...)
Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2C(F)(F)F)cc1
Show InChI InChI=1S/C25H20ClF3N2O4/c26-17-6-9-21(25(27,28)29)19(12-17)16-5-10-22(31(35)13-16)20(11-14-1-2-14)23(32)30-18-7-3-15(4-8-18)24(33)34/h3-10,12-14,20H,1-2,11H2,(H,30,32)(H,33,34)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM304101
PNG
((S)- or (R)-4-({2-[5-(3-chloro-2- fluoro-6-methoxy...)
Show SMILES COc1ccc(Cl)c(F)c1-c1ccc(C(CC2CC2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])c1
Show InChI InChI=1S/C25H22ClFN2O5/c1-34-21-11-9-19(26)23(27)22(21)16-6-10-20(29(33)13-16)18(12-14-2-3-14)24(30)28-17-7-4-15(5-8-17)25(31)32/h4-11,13-14,18H,2-3,12H2,1H3,(H,28,30)(H,31,32)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10143681 (2018)

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