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Patent code US10123995

Compile Data Set for Download or QSAR
Found 32 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))
BDBM298332
PNG
(US10123995, Example 10)
Show SMILES O[C@@H]1C[C@](O)(C(=O)Nc2ccc(cc2)C(O)=O)c2ncc(cc12)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C23H17ClN6O5/c24-14-3-6-18(30-11-26-28-29-30)16(8-14)13-7-17-19(31)9-23(35,20(17)25-10-13)22(34)27-15-4-1-12(2-5-15)21(32)33/h1-8,10-11,19,31,35H,9H2,(H,27,34)(H,32,33)/t19-,23-/m1/s1
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US Patent
n/an/a 2.70n/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 Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298331
PNG
(US10123995, Example 9)
Show SMILES O[C@@H]1C[C@@](O)(C(=O)Nc2ccc(cc2)C(O)=O)c2ncc(cc12)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C23H17ClN6O5/c24-14-3-6-18(30-11-26-28-29-30)16(8-14)13-7-17-19(31)9-23(35,20(17)25-10-13)22(34)27-15-4-1-12(2-5-15)21(32)33/h1-8,10-11,19,31,35H,9H2,(H,27,34)(H,32,33)/t19-,23+/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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298282
PNG
(US10123995, Example 5)
Show SMILES OC1C[C@H](C(=O)Nc2ccc(cc2)C(O)=O)c2ncc(cc12)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C23H17ClN6O4/c24-14-3-6-19(30-11-26-28-29-30)16(8-14)13-7-17-20(31)9-18(21(17)25-10-13)22(32)27-15-4-1-12(2-5-15)23(33)34/h1-8,10-11,18,20,31H,9H2,(H,27,32)(H,33,34)/t18-,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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298335
PNG
(US10123995, Example 13)
Show SMILES OC(=O)c1ccc(NC(=O)C2(O)C[C@@H](F)c3cc(cnc23)-c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C23H16ClFN6O4/c24-14-3-6-19(31-11-27-29-30-31)16(8-14)13-7-17-18(25)9-23(35,20(17)26-10-13)22(34)28-15-4-1-12(2-5-15)21(32)33/h1-8,10-11,18,35H,9H2,(H,28,34)(H,32,33)/t18-,23?/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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298277
PNG
(US10123995, Example 1)
Show SMILES CC(C)(C)OC(=O)c1ccc(NC(=O)C2CCc3cc(c[n+]([O-])c23)-c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C27H25ClN6O4/c1-27(2,3)38-26(36)16-4-8-20(9-5-16)30-25(35)21-10-6-17-12-18(14-34(37)24(17)21)22-13-19(28)7-11-23(22)33-15-29-31-32-33/h4-5,7-9,11-15,21H,6,10H2,1-3H3,(H,30,35)
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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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298330
PNG
(US10123995, Example 8)
Show SMILES OC1CC(O)(C(=O)Nc2ccc(cc2)C(O)=O)c2ncc(cc12)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C23H17ClN6O5/c24-14-3-6-18(30-11-26-28-29-30)16(8-14)13-7-17-19(31)9-23(35,20(17)25-10-13)22(34)27-15-4-1-12(2-5-15)21(32)33/h1-8,10-11,19,31,35H,9H2,(H,27,34)(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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298341
PNG
(4-[({3-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-7-hyd...)
Show SMILES CC(C)(C)OC(=O)c1ccc(NC(=O)C2(O)CCc3cc(cnc23)-c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C27H25ClN6O4/c1-26(2,3)38-24(35)16-4-7-20(8-5-16)31-25(36)27(37)11-10-17-12-18(14-29-23(17)27)21-13-19(28)6-9-22(21)34-15-30-32-33-34/h4-9,12-15,37H,10-11H2,1-3H3,(H,31,36)
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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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298329
PNG
(US10123995, Example 7)
Show SMILES O[C@H]1CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ncc(cc12)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C23H17ClN6O4/c24-14-3-6-19(30-11-26-28-29-30)16(8-14)13-7-17-20(31)9-18(21(17)25-10-13)22(32)27-15-4-1-12(2-5-15)23(33)34/h1-8,10-11,18,20,31H,9H2,(H,27,32)(H,33,34)/t18?,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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298283
PNG
(US10123995, Example 6)
Show SMILES OC1C[C@@H](C(=O)Nc2ccc(cc2)C(O)=O)c2ncc(cc12)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C23H17ClN6O4/c24-14-3-6-19(30-11-26-28-29-30)16(8-14)13-7-17-20(31)9-18(21(17)25-10-13)22(32)27-15-4-1-12(2-5-15)23(33)34/h1-8,10-11,18,20,31H,9H2,(H,27,32)(H,33,34)/t18-,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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298337
PNG
(US10123995, Example 15)
Show SMILES OC(=O)c1ccc(NC(=O)[C@]2(F)C[C@@H](F)c3cc(cnc23)-c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C23H15ClF2N6O3/c24-14-3-6-19(32-11-28-30-31-32)16(8-14)13-7-17-18(25)9-23(26,20(17)27-10-13)22(35)29-15-4-1-12(2-5-15)21(33)34/h1-8,10-11,18H,9H2,(H,29,35)(H,33,34)/t18-,23+/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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298338
PNG
(US10123995, Example 16)
Show SMILES OC(=O)c1ccc(NC(=O)[C@@]2(F)C[C@@H](F)c3cc(cnc23)-c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C23H15ClF2N6O3/c24-14-3-6-19(32-11-28-30-31-32)16(8-14)13-7-17-18(25)9-23(26,20(17)27-10-13)22(35)29-15-4-1-12(2-5-15)21(33)34/h1-8,10-11,18H,9H2,(H,29,35)(H,33,34)/t18-,23-/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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298333
PNG
(US10123995, Example 11)
Show SMILES O[C@H]1C[C@@](O)(C(=O)Nc2ccc(cc2)C(O)=O)c2ncc(cc12)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C23H17ClN6O5/c24-14-3-6-18(30-11-26-28-29-30)16(8-14)13-7-17-19(31)9-23(35,20(17)25-10-13)22(34)27-15-4-1-12(2-5-15)21(32)33/h1-8,10-11,19,31,35H,9H2,(H,27,34)(H,32,33)/t19-,23-/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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298343
PNG
(7-((4-carboxyphenyl)carbamoyl)-3-(5-chloro-2-(1H-t...)
Show SMILES CC(C)(C)OC(=O)c1ccc(NC(=O)C2(CC3CC3)CCc3cc(c[n+]([O-])c23)-c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C31H31ClN6O4/c1-30(2,3)42-28(39)20-6-9-24(10-7-20)34-29(40)31(16-19-4-5-19)13-12-21-14-22(17-38(41)27(21)31)25-15-23(32)8-11-26(25)37-18-33-35-36-37/h6-11,14-15,17-19H,4-5,12-13,16H2,1-3H3,(H,34,40)
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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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298335
PNG
(US10123995, Example 13)
Show SMILES OC(=O)c1ccc(NC(=O)C2(O)C[C@@H](F)c3cc(cnc23)-c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C23H16ClFN6O4/c24-14-3-6-19(31-11-27-29-30-31)16(8-14)13-7-17-18(25)9-23(35,20(17)26-10-13)22(34)28-15-4-1-12(2-5-15)21(32)33/h1-8,10-11,18,35H,9H2,(H,28,34)(H,32,33)/t18-,23?/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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298334
PNG
(US10123995, Example 12)
Show SMILES O[C@H]1C[C@](O)(C(=O)Nc2ccc(cc2)C(O)=O)c2ncc(cc12)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C23H17ClN6O5/c24-14-3-6-18(30-11-26-28-29-30)16(8-14)13-7-17-19(31)9-23(35,20(17)25-10-13)22(34)27-15-4-1-12(2-5-15)21(32)33/h1-8,10-11,19,31,35H,9H2,(H,27,34)(H,32,33)/t19-,23+/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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298336
PNG
(US10123995, Example 14)
Show SMILES OC(=O)c1ccc(NC(=O)C2(O)C[C@H](F)c3cc(cnc23)-c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C23H16ClFN6O4/c24-14-3-6-19(31-11-27-29-30-31)16(8-14)13-7-17-18(25)9-23(35,20(17)26-10-13)22(34)28-15-4-1-12(2-5-15)21(32)33/h1-8,10-11,18,35H,9H2,(H,28,34)(H,32,33)/t18-,23?/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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298331
PNG
(US10123995, Example 9)
Show SMILES O[C@@H]1C[C@@](O)(C(=O)Nc2ccc(cc2)C(O)=O)c2ncc(cc12)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C23H17ClN6O5/c24-14-3-6-18(30-11-26-28-29-30)16(8-14)13-7-17-19(31)9-23(35,20(17)25-10-13)22(34)27-15-4-1-12(2-5-15)21(32)33/h1-8,10-11,19,31,35H,9H2,(H,27,34)(H,32,33)/t19-,23+/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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298277
PNG
(US10123995, Example 1)
Show SMILES CC(C)(C)OC(=O)c1ccc(NC(=O)C2CCc3cc(c[n+]([O-])c23)-c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C27H25ClN6O4/c1-27(2,3)38-26(36)16-4-8-20(9-5-16)30-25(35)21-10-6-17-12-18(14-34(37)24(17)21)22-13-19(28)7-11-23(22)33-15-29-31-32-33/h4-5,7-9,11-15,21H,6,10H2,1-3H3,(H,30,35)
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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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298282
PNG
(US10123995, Example 5)
Show SMILES OC1C[C@H](C(=O)Nc2ccc(cc2)C(O)=O)c2ncc(cc12)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C23H17ClN6O4/c24-14-3-6-19(30-11-26-28-29-30)16(8-14)13-7-17-20(31)9-18(21(17)25-10-13)22(32)27-15-4-1-12(2-5-15)23(33)34/h1-8,10-11,18,20,31H,9H2,(H,27,32)(H,33,34)/t18-,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 Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298332
PNG
(US10123995, Example 10)
Show SMILES O[C@@H]1C[C@](O)(C(=O)Nc2ccc(cc2)C(O)=O)c2ncc(cc12)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C23H17ClN6O5/c24-14-3-6-18(30-11-26-28-29-30)16(8-14)13-7-17-19(31)9-23(35,20(17)25-10-13)22(34)27-15-4-1-12(2-5-15)21(32)33/h1-8,10-11,19,31,35H,9H2,(H,27,34)(H,32,33)/t19-,23-/m1/s1
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n/an/a 530n/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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298283
PNG
(US10123995, Example 6)
Show SMILES OC1C[C@@H](C(=O)Nc2ccc(cc2)C(O)=O)c2ncc(cc12)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C23H17ClN6O4/c24-14-3-6-19(30-11-26-28-29-30)16(8-14)13-7-17-20(31)9-18(21(17)25-10-13)22(32)27-15-4-1-12(2-5-15)23(33)34/h1-8,10-11,18,20,31H,9H2,(H,27,32)(H,33,34)/t18-,20?/m1/s1
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n/an/a 700n/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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298330
PNG
(US10123995, Example 8)
Show SMILES OC1CC(O)(C(=O)Nc2ccc(cc2)C(O)=O)c2ncc(cc12)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C23H17ClN6O5/c24-14-3-6-18(30-11-26-28-29-30)16(8-14)13-7-17-19(31)9-23(35,20(17)25-10-13)22(34)27-15-4-1-12(2-5-15)21(32)33/h1-8,10-11,19,31,35H,9H2,(H,27,34)(H,32,33)
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n/an/a 816n/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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298343
PNG
(7-((4-carboxyphenyl)carbamoyl)-3-(5-chloro-2-(1H-t...)
Show SMILES CC(C)(C)OC(=O)c1ccc(NC(=O)C2(CC3CC3)CCc3cc(c[n+]([O-])c23)-c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C31H31ClN6O4/c1-30(2,3)42-28(39)20-6-9-24(10-7-20)34-29(40)31(16-19-4-5-19)13-12-21-14-22(17-38(41)27(21)31)25-15-23(32)8-11-26(25)37-18-33-35-36-37/h6-11,14-15,17-19H,4-5,12-13,16H2,1-3H3,(H,34,40)
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n/an/a>870n/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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298342
PNG
(3-(5-Chloro-2-(H-tetrazol-1-yl)phenyl)-7-(4-((meth...)
Show SMILES COC(=O)Nc1ccc(cc1)C(=O)NC1CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C24H20ClN7O4/c1-36-24(34)27-18-6-2-14(3-7-18)23(33)28-20-8-4-15-10-16(12-32(35)22(15)20)19-11-17(25)5-9-21(19)31-13-26-29-30-31/h2-3,5-7,9-13,20H,4,8H2,1H3,(H,27,34)(H,28,33)
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n/an/a 894n/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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298341
PNG
(4-[({3-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-7-hyd...)
Show SMILES CC(C)(C)OC(=O)c1ccc(NC(=O)C2(O)CCc3cc(cnc23)-c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C27H25ClN6O4/c1-26(2,3)38-24(35)16-4-7-20(8-5-16)31-25(36)27(37)11-10-17-12-18(14-29-23(17)27)21-13-19(28)6-9-22(21)34-15-30-32-33-34/h4-9,12-15,37H,10-11H2,1-3H3,(H,31,36)
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n/an/a 1.37E+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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298329
PNG
(US10123995, Example 7)
Show SMILES O[C@H]1CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ncc(cc12)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C23H17ClN6O4/c24-14-3-6-19(30-11-26-28-29-30)16(8-14)13-7-17-20(31)9-18(21(17)25-10-13)22(32)27-15-4-1-12(2-5-15)23(33)34/h1-8,10-11,18,20,31H,9H2,(H,27,32)(H,33,34)/t18?,20-/m0/s1
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n/an/a 1.72E+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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298278
PNG
(7-((4- carboxybicyclo[2.2.2]octan- 1-yl)carbamoyl)...)
Show SMILES OC(=O)C12CCC(CC1)(CC2)NC(=O)C1CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C25H25ClN6O4/c26-17-2-4-20(31-14-27-29-30-31)19(12-17)16-11-15-1-3-18(21(15)32(36)13-16)22(33)28-25-8-5-24(6-9-25,7-10-25)23(34)35/h2,4,11-14,18H,1,3,5-10H2,(H,28,33)(H,34,35)
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n/an/a 2.00E+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 Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298279
PNG
(4-({[(7S)-3-(3-chloro-2,6- difluorophenyl)-1-oxido...)
Show SMILES OC(=O)c1ccc(NC(=O)C2CCc3cc(c[n+]([O-])c23)-c2c(F)ccc(Cl)c2F)cc1
Show InChI InChI=1S/C22H15ClF2N2O4/c23-16-7-8-17(24)18(19(16)25)13-9-12-3-6-15(20(12)27(31)10-13)21(28)26-14-4-1-11(2-5-14)22(29)30/h1-2,4-5,7-10,15H,3,6H2,(H,26,28)(H,29,30)
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n/an/a 2.37E+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 Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298279
PNG
(4-({[(7S)-3-(3-chloro-2,6- difluorophenyl)-1-oxido...)
Show SMILES OC(=O)c1ccc(NC(=O)C2CCc3cc(c[n+]([O-])c23)-c2c(F)ccc(Cl)c2F)cc1
Show InChI InChI=1S/C22H15ClF2N2O4/c23-16-7-8-17(24)18(19(16)25)13-9-12-3-6-15(20(12)27(31)10-13)21(28)26-14-4-1-11(2-5-14)22(29)30/h1-2,4-5,7-10,15H,3,6H2,(H,26,28)(H,29,30)
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n/an/a 2.92E+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 Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298339
PNG
(US10123995, Example 17)
Show SMILES OC(=O)c1ccc(NC(=O)[C@]2(F)C[C@H](F)c3cc(cnc23)-c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C23H15ClF2N6O3/c24-14-3-6-19(32-11-28-30-31-32)16(8-14)13-7-17-18(25)9-23(26,20(17)27-10-13)22(35)29-15-4-1-12(2-5-15)21(33)34/h1-8,10-11,18H,9H2,(H,29,35)(H,33,34)/t18-,23-/m0/s1
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n/an/a 4.44E+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 Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298337
PNG
(US10123995, Example 15)
Show SMILES OC(=O)c1ccc(NC(=O)[C@]2(F)C[C@@H](F)c3cc(cnc23)-c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C23H15ClF2N6O3/c24-14-3-6-19(32-11-28-30-31-32)16(8-14)13-7-17-18(25)9-23(26,20(17)27-10-13)22(35)29-15-4-1-12(2-5-15)21(33)34/h1-8,10-11,18H,9H2,(H,29,35)(H,33,34)/t18-,23+/m1/s1
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n/an/a 4.92E+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 US10123995 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM298340
PNG
(US10123995, Example 18)
Show SMILES OC(=O)c1ccc(NC(=O)[C@@]2(F)C[C@H](F)c3cc(cnc23)-c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C23H15ClF2N6O3/c24-14-3-6-19(32-11-28-30-31-32)16(8-14)13-7-17-18(25)9-23(26,20(17)27-10-13)22(35)29-15-4-1-12(2-5-15)21(33)34/h1-8,10-11,18H,9H2,(H,29,35)(H,33,34)/t18-,23+/m0/s1
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n/an/a 9.45E+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 Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10123995 (2018)

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