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Compile Data Set for Download or QSAR

Found 19 hits of ki for UniProtKB: P00742   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor V/Coagulation factor X/Serine/threonine-protein kinase BRSK2


(Homo sapiens (Human))
BDBM19023
PNG
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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<10n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 μL human factor ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor V/Coagulation factor X/Serine/threonine-protein kinase BRSK2


(Homo sapiens (Human))
BDBM387049
PNG
(4-(4-(1-(4-Methoxyphenyl)-7-oxo-3-(trifluoromethyl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C3CCN(CC3)N3CCOCC3=O)C(=O)c12)C(F)(F)F
Show InChI InChI=1S/C23H26F3N5O4/c1-34-17-4-2-16(3-5-17)31-20-18(21(27-31)23(24,25)26)8-11-29(22(20)33)15-6-9-28(10-7-15)30-12-13-35-14-19(30)32/h2-5,15H,6-14H2,1H3
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<10n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 μL human factor ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair
Coagulation factor V/Coagulation factor X/Serine/threonine-protein kinase BRSK2


(Homo sapiens (Human))
BDBM387083
PNG
(4-(4-(1-(3-Fluoronaphthalen-2-yl)-7-oxo-3-(trifluo...)
Show SMILES Fc1cc2ccccc2cc1-n1nc(c2CCN(C3CCN(CC3)N3CCOCC3=O)C(=O)c12)C(F)(F)F
Show InChI InChI=1S/C26H25F4N5O3/c27-20-13-16-3-1-2-4-17(16)14-21(20)35-23-19(24(31-35)26(28,29)30)7-10-33(25(23)37)18-5-8-32(9-6-18)34-11-12-38-15-22(34)36/h1-4,13-14,18H,5-12,15H2
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<10n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 μL human factor ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair
Coagulation factor V/Coagulation factor X/Serine/threonine-protein kinase BRSK2


(Homo sapiens (Human))
BDBM387082
PNG
(4-(4-(1-(3-Fluoro-4-methoxyphenyl)-7-oxo-3-(triflu...)
Show SMILES COc1ccc(cc1F)-n1nc(c2CCN(C3CCN(CC3)N3CCOCC3=O)C(=O)c12)C(F)(F)F
Show InChI InChI=1S/C23H25F4N5O4/c1-35-18-3-2-15(12-17(18)24)32-20-16(21(28-32)23(25,26)27)6-9-30(22(20)34)14-4-7-29(8-5-14)31-10-11-36-13-19(31)33/h2-3,12,14H,4-11,13H2,1H3
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<10n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 μL human factor ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair
Coagulation factor V/Coagulation factor X/Serine/threonine-protein kinase BRSK2


(Homo sapiens (Human))
BDBM387080
PNG
(4-(4-(1-(3-Aminobenzo[d]isoxazol-5-yl)-7-oxo-3-(tr...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(c2CCN(C3CCN(CC3)N3CCOCC3=O)C(=O)c12)C(F)(F)F
Show InChI InChI=1S/C23H24F3N7O4/c24-23(25,26)20-15-5-8-31(13-3-6-30(7-4-13)32-9-10-36-12-18(32)34)22(35)19(15)33(28-20)14-1-2-17-16(11-14)21(27)29-37-17/h1-2,11,13H,3-10,12H2,(H2,27,29)
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<10n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 μL human factor ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair
Coagulation factor V/Coagulation factor X/Serine/threonine-protein kinase BRSK2


(Homo sapiens (Human))
BDBM387050
PNG
(1-(4-Methoxyphenyl)-6-(2′-oxo-[1,1′-bi...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C3CCN(CC3)N3CCCCC3=O)C(=O)c12)C(F)(F)F
Show InChI InChI=1S/C24H28F3N5O3/c1-35-18-7-5-17(6-8-18)32-21-19(22(28-32)24(25,26)27)11-15-30(23(21)34)16-9-13-29(14-10-16)31-12-3-2-4-20(31)33/h5-8,16H,2-4,9-15H2,1H3
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<10n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 μL human factor ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair
Coagulation factor V/Coagulation factor X/Serine/threonine-protein kinase BRSK2


(Homo sapiens (Human))
BDBM387054
PNG
(1-(4-Methoxyphenyl)-6-(1-(2-oxopyrrolidin-1-yl)pip...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C3CCN(CC3)N3CCCC3=O)C(=O)c12)C(F)(F)F
Show InChI InChI=1S/C23H26F3N5O3/c1-34-17-6-4-16(5-7-17)31-20-18(21(27-31)23(24,25)26)10-14-29(22(20)33)15-8-12-28(13-9-15)30-11-2-3-19(30)32/h4-7,15H,2-3,8-14H2,1H3
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<10n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 μL human factor ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair
Coagulation factor V/Coagulation factor X/Serine/threonine-protein kinase BRSK2


(Homo sapiens (Human))
BDBM387055
PNG
(1-(4-Methoxyphenyl)-7-oxo-6-(2′-oxo-[1,1R...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)N3CCCCC3=O)C(=O)c12
Show InChI InChI=1S/C24H30N6O4/c1-34-18-7-5-17(6-8-18)30-22-19(21(26-30)23(25)32)11-15-28(24(22)33)16-9-13-27(14-10-16)29-12-3-2-4-20(29)31/h5-8,16H,2-4,9-15H2,1H3,(H2,25,32)
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<10n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 μL human factor ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair
Coagulation factor V/Coagulation factor X/Serine/threonine-protein kinase BRSK2


(Homo sapiens (Human))
BDBM387056
PNG
(1-(4-Methoxyphenyl)-7-oxo-6-(2′-oxo-[1,1R...)
Show SMILES COc1ccc(cc1)-n1nc(C#N)c2CCN(C3CCN(CC3)N3CCCCC3=O)C(=O)c12
Show InChI InChI=1S/C24H28N6O3/c1-33-19-7-5-18(6-8-19)30-23-20(21(16-25)26-30)11-15-28(24(23)32)17-9-13-27(14-10-17)29-12-3-2-4-22(29)31/h5-8,17H,2-4,9-15H2,1H3
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<10n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 μL human factor ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair
Coagulation factor V/Coagulation factor X/Serine/threonine-protein kinase BRSK2


(Homo sapiens (Human))
BDBM387057
PNG
(N′-Cyano-1-(4-methoxyphenyl)-7-oxo-6-(2̸...)
Show SMILES COc1ccc(cc1)-n1nc(\C(N)=N/C#N)c2CCN(C3CCN(CC3)N3CCCCC3=O)C(=O)c12
Show InChI InChI=1S/C25H30N8O3/c1-36-19-7-5-18(6-8-19)33-23-20(22(29-33)24(27)28-16-26)11-15-31(25(23)35)17-9-13-30(14-10-17)32-12-3-2-4-21(32)34/h5-8,17H,2-4,9-15H2,1H3,(H2,27,28)
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<10n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 μL human factor ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair
Coagulation factor V/Coagulation factor X/Serine/threonine-protein kinase BRSK2


(Homo sapiens (Human))
BDBM387058
PNG
(1-(4-Methoxyphenyl)-7-oxo-6-(1-(3-oxomorpholino)pi...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)N3CCOCC3=O)C(=O)c12
Show InChI InChI=1S/C23H28N6O5/c1-33-17-4-2-16(3-5-17)29-21-18(20(25-29)22(24)31)8-11-27(23(21)32)15-6-9-26(10-7-15)28-12-13-34-14-19(28)30/h2-5,15H,6-14H2,1H3,(H2,24,31)
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<10n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 μL human factor ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair
Coagulation factor V/Coagulation factor X/Serine/threonine-protein kinase BRSK2


(Homo sapiens (Human))
BDBM387065
PNG
(1-(4-(Difluoromethoxy)phenyl)-7-oxo-6-(1-(3-oxomor...)
Show SMILES NC(=O)c1nn(c2c1CCN(C1CCN(CC1)N1CCOCC1=O)C2=O)-c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C23H26F2N6O5/c24-23(25)36-16-3-1-15(2-4-16)31-20-17(19(27-31)21(26)33)7-10-29(22(20)34)14-5-8-28(9-6-14)30-11-12-35-13-18(30)32/h1-4,14,23H,5-13H2,(H2,26,33)
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<10n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 μL human factor ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair
Coagulation factor V/Coagulation factor X/Serine/threonine-protein kinase BRSK2


(Homo sapiens (Human))
BDBM387068
PNG
(1-(4-Methoxyphenyl)-7-oxo-6-(2-oxo-[1,4′-bip...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(N3CCC(CC3)N3CCCCC3=O)C(=O)c12
Show InChI InChI=1S/C24H30N6O4/c1-34-18-7-5-17(6-8-18)30-22-19(21(26-30)23(25)32)11-15-29(24(22)33)27-13-9-16(10-14-27)28-12-3-2-4-20(28)31/h5-8,16H,2-4,9-15H2,1H3,(H2,25,32)
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<10n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 μL human factor ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair
Coagulation factor V/Coagulation factor X/Serine/threonine-protein kinase BRSK2


(Homo sapiens (Human))
BDBM387077
PNG
(4-(4-(1-(4-(Difluoromethoxy)phenyl)-7-oxo-3-(trifl...)
Show SMILES FC(F)Oc1ccc(cc1)-n1nc(c2CCN(C3CCN(CC3)N3CCOCC3=O)C(=O)c12)C(F)(F)F
Show InChI InChI=1S/C23H24F5N5O4/c24-22(25)37-16-3-1-15(2-4-16)33-19-17(20(29-33)23(26,27)28)7-10-31(21(19)35)14-5-8-30(9-6-14)32-11-12-36-13-18(32)34/h1-4,14,22H,5-13H2
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<10n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 μL human factor ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair
Coagulation factor V/Coagulation factor X/Serine/threonine-protein kinase BRSK2


(Homo sapiens (Human))
BDBM387078
PNG
(4-(4-(1-(6-Chloronaphthalen-2-yl)-7-oxo-3-(trifluo...)
Show SMILES FC(F)(F)c1nn(c2c1CCN(C1CCN(CC1)N1CCOCC1=O)C2=O)-c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C26H25ClF3N5O3/c27-18-3-1-17-14-20(4-2-16(17)13-18)35-23-21(24(31-35)26(28,29)30)7-10-33(25(23)37)19-5-8-32(9-6-19)34-11-12-38-15-22(34)36/h1-4,13-14,19H,5-12,15H2
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<10n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 μL human factor ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair
Coagulation factor V/Coagulation factor X/Serine/threonine-protein kinase BRSK2


(Homo sapiens (Human))
BDBM387069
PNG
(1-(4-Methoxyphenyl)-N5-(1-(3-oxomorpholino)piperid...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)NC1CCN(CC1)N1CCOCC1=O)C(N)=O
Show InChI InChI=1S/C21H26N6O5/c1-31-16-4-2-15(3-5-16)27-18(12-17(24-27)20(22)29)21(30)23-14-6-8-25(9-7-14)26-10-11-32-13-19(26)28/h2-5,12,14H,6-11,13H2,1H3,(H2,22,29)(H,23,30)
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30n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 μL human factor ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair
Coagulation factor V/Coagulation factor X/Serine/threonine-protein kinase BRSK2


(Homo sapiens (Human))
BDBM387059
PNG
(US9938272, Example 8a | US9938272, Example 8b)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)C3CCNC3=O)C(=O)c12 |w:24.25|
Show InChI InChI=1S/C23H28N6O4/c1-33-16-4-2-15(3-5-16)29-20-17(19(26-29)21(24)30)9-13-28(23(20)32)14-7-11-27(12-8-14)18-6-10-25-22(18)31/h2-5,14,18H,6-13H2,1H3,(H2,24,30)(H,25,31)
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30n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 μL human factor ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair
Coagulation factor V/Coagulation factor X/Serine/threonine-protein kinase BRSK2


(Homo sapiens (Human))
BDBM387085
PNG
(3-(7-Oxo-6-(1-(3-oxomorpholino)piperidin-4-yl)-3-(...)
Show SMILES NC(=O)c1cccc(c1)-n1nc(c2CCN(C3CCN(CC3)N3CCOCC3=O)C(=O)c12)C(F)(F)F
Show InChI InChI=1S/C23H25F3N6O4/c24-23(25,26)20-17-6-9-30(15-4-7-29(8-5-15)31-10-11-36-13-18(31)33)22(35)19(17)32(28-20)16-3-1-2-14(12-16)21(27)34/h1-3,12,15H,4-11,13H2,(H2,27,34)
PDB
MMDB

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UniProtKB/SwissProt

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30n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 μL human factor ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair
Coagulation factor V/Coagulation factor X/Serine/threonine-protein kinase BRSK2


(Homo sapiens (Human))
BDBM387064
PNG
(7-Oxo-6-(1-(3-oxomorpholino)piperidin-4-yl)-1-(4-(...)
Show SMILES NC(=O)c1nn(c2c1CCN(C1CCN(CC1)N1CCOCC1=O)C2=O)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H25F3N6O5/c24-23(25,26)37-16-3-1-15(2-4-16)32-20-17(19(28-32)21(27)34)7-10-30(22(20)35)14-5-8-29(9-6-14)31-11-12-36-13-18(31)33/h1-4,14H,5-13H2,(H2,27,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
525n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 μL human factor ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair