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Patent code US10174020

Compile Data Set for Download or QSAR
Found 10 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))
BDBM320260
PNG
(US10174020, Compound 8-1)
Show SMILES OC(=O)c1cc2cc(NC(=O)[C@@H]3CCc4cc(cc(=O)n34)-c3cc(Cl)ccc3-n3cnnn3)ccc2[nH]1
Show InChI InChI=1S/C25H18ClN7O4/c26-15-1-5-21(32-12-27-30-31-32)18(11-15)13-8-17-3-6-22(33(17)23(34)10-13)24(35)28-16-2-4-19-14(7-16)9-20(29-19)25(36)37/h1-2,4-5,7-12,22,29H,3,6H2,(H,28,35)(H,36,37)/t22-/m0/s1
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2n/an/an/an/an/an/an/an/a



SICHUAN HAISCO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The following method was used to test the in vitro inhibitory effect of the compounds of the present invention on the activity of human blood-coagula...


US Patent US10174020 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM320262
PNG
(5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-oxo-...)
Show SMILES OC(=O)c1cc2cc(NC(=O)C(Cc3ccccc3)n3ccc(cc3=O)-c3cc(Cl)ccc3-n3cnnn3)ccc2[nH]1
Show InChI InChI=1S/C30H22ClN7O4/c31-21-6-9-26(38-17-32-35-36-38)23(16-21)19-10-11-37(28(39)15-19)27(12-18-4-2-1-3-5-18)29(40)33-22-7-8-24-20(13-22)14-25(34-24)30(41)42/h1-11,13-17,27,34H,12H2,(H,33,40)(H,41,42)
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4n/an/an/an/an/an/an/an/a



SICHUAN HAISCO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The following method was used to test the in vitro inhibitory effect of the compounds of the present invention on the activity of human blood-coagula...


US Patent US10174020 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM320255
PNG
(N-(2-carboxyindol-5-yl)-7-(5-chloro-2-(1H-tetrazol...)
Show SMILES OC(=O)c1cc2cc(NC(=O)C3CCc4cc(cc(=O)n34)-c3cc(Cl)ccc3-n3cnnn3)ccc2[nH]1
Show InChI InChI=1S/C25H18ClN7O4/c26-15-1-5-21(32-12-27-30-31-32)18(11-15)13-8-17-3-6-22(33(17)23(34)10-13)24(35)28-16-2-4-19-14(7-16)9-20(29-19)25(36)37/h1-2,4-5,7-12,22,29H,3,6H2,(H,28,35)(H,36,37)
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9n/an/an/an/an/an/an/an/a



SICHUAN HAISCO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The following method was used to test the in vitro inhibitory effect of the compounds of the present invention on the activity of human blood-coagula...


US Patent US10174020 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM320258
PNG
(N-(2-carboxyindol-5-yl)-2-(4-(5-chloro-2-(1H-tetra...)
Show SMILES CC(C)(C)OC(=O)c1cc2cc(NC(=O)Cn3ccc(cc3=O)-c3cc(Cl)ccc3-n3cnnn3)ccc2[nH]1
Show InChI InChI=1S/C27H24ClN7O4/c1-27(2,3)39-26(38)22-11-17-10-19(5-6-21(17)31-22)30-24(36)14-34-9-8-16(12-25(34)37)20-13-18(28)4-7-23(20)35-15-29-32-33-35/h4-13,15,31H,14H2,1-3H3,(H,30,36)
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14n/an/an/an/an/an/an/an/a



SICHUAN HAISCO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The following method was used to test the in vitro inhibitory effect of the compounds of the present invention on the activity of human blood-coagula...


US Patent US10174020 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM320256
PNG
(N-(2-carboxyindol-5-yl)-2-(5-chloro-2-(1H-tetrazol...)
Show SMILES CC(C)(C)OC(=O)c1cc2cc(NC(=O)C3CCc4nc(cc(=O)n34)-c3cc(Cl)ccc3-n3cnnn3)ccc2[nH]1
Show InChI InChI=1S/C28H25ClN8O4/c1-28(2,3)41-27(40)21-11-15-10-17(5-6-19(15)32-21)31-26(39)23-8-9-24-33-20(13-25(38)37(23)24)18-12-16(29)4-7-22(18)36-14-30-34-35-36/h4-7,10-14,23,32H,8-9H2,1-3H3,(H,31,39)
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17n/an/an/an/an/an/an/an/a



SICHUAN HAISCO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The following method was used to test the in vitro inhibitory effect of the compounds of the present invention on the activity of human blood-coagula...


US Patent US10174020 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM320254
PNG
(N-(4-carboxyphenyl)-7-(5-chloro-2-(H-tetrazol-1-yl...)
Show SMILES OC(=O)c1ccc(NC(=O)C2CCc3cc(cc(=O)n23)-c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C23H17ClN6O4/c24-15-3-7-19(29-12-25-27-28-29)18(11-15)14-9-17-6-8-20(30(17)21(31)10-14)22(32)26-16-4-1-13(2-5-16)23(33)34/h1-5,7,9-12,20H,6,8H2,(H,26,32)(H,33,34)
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68n/an/an/an/an/an/an/an/a



SICHUAN HAISCO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The following method was used to test the in vitro inhibitory effect of the compounds of the present invention on the activity of human blood-coagula...


US Patent US10174020 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM320257
PNG
(N-(4-carboxyphenyl)-2-(4-(5-chloro-2-(1H-tetrazol-...)
Show SMILES CC(C)(C)OC(=O)c1ccc(NC(=O)Cn2ccc(cc2=O)-c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C25H23ClN6O4/c1-25(2,3)36-24(35)16-4-7-19(8-5-16)28-22(33)14-31-11-10-17(12-23(31)34)20-13-18(26)6-9-21(20)32-15-27-29-30-32/h4-13,15H,14H2,1-3H3,(H,28,33)
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146n/an/an/an/an/an/an/an/a



SICHUAN HAISCO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The following method was used to test the in vitro inhibitory effect of the compounds of the present invention on the activity of human blood-coagula...


US Patent US10174020 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM320038
PNG
(N-(4-carboxyphenyl)-2-(5-chloro-2-(1H-tetrazol-1-y...)
Show SMILES OC(=O)c1ccc(NC(=O)C2CCc3nc(cc(=O)n23)-c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C22H16ClN7O4/c23-13-3-6-17(29-11-24-27-28-29)15(9-13)16-10-20(31)30-18(7-8-19(30)26-16)21(32)25-14-4-1-12(2-5-14)22(33)34/h1-6,9-11,18H,7-8H2,(H,25,32)(H,33,34)
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249n/an/an/an/an/an/an/an/a



SICHUAN HAISCO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The following method was used to test the in vitro inhibitory effect of the compounds of the present invention on the activity of human blood-coagula...


US Patent US10174020 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM320259
PNG
(N-(4-methoxycarboxylaminophenyl)-7-(5-chloro-2-(1H...)
Show SMILES COC(=O)Nc1ccc(NC(=O)C2CCc3cc(cc(=O)n23)-c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C24H20ClN7O4/c1-36-24(35)28-17-5-3-16(4-6-17)27-23(34)21-9-7-18-10-14(11-22(33)32(18)21)19-12-15(25)2-8-20(19)31-13-26-29-30-31/h2-6,8,10-13,21H,7,9H2,1H3,(H,27,34)(H,28,35)
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344n/an/an/an/an/an/an/an/a



SICHUAN HAISCO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The following method was used to test the in vitro inhibitory effect of the compounds of the present invention on the activity of human blood-coagula...


US Patent US10174020 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM320261
PNG
(US10174020, Compound 8-2)
Show SMILES OC(=O)c1cc2cc(NC(=O)[C@H]3CCc4cc(cc(=O)n34)-c3cc(Cl)ccc3-n3cnnn3)ccc2[nH]1
Show InChI InChI=1S/C25H18ClN7O4/c26-15-1-5-21(32-12-27-30-31-32)18(11-15)13-8-17-3-6-22(33(17)23(34)10-13)24(35)28-16-2-4-19-14(7-16)9-20(29-19)25(36)37/h1-2,4-5,7-12,22,29H,3,6H2,(H,28,35)(H,36,37)/t22-/m1/s1
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1.03E+3n/an/an/an/an/an/an/an/a



SICHUAN HAISCO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The following method was used to test the in vitro inhibitory effect of the compounds of the present invention on the activity of human blood-coagula...


US Patent US10174020 (2019)

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