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Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'irvine' and Initial = 's'   
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 X


(Homo sapiens (Human))
BDBM50306153
PNG
((S)-2-(5-chlorothiophen-2-yl)-N-(1-(3-fluoro-2'-(m...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1 |r|
Show InChI InChI=1S/C23H20ClFN2O5S3/c1-34(29,30)21-5-3-2-4-17(21)15-6-8-20(18(25)14-15)27-12-10-19(23(27)28)26-35(31,32)13-11-16-7-9-22(24)33-16/h2-9,11,13-14,19,26H,10,12H2,1H3/b13-11+/t19-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by fluorescence assay


Bioorg Med Chem Lett 20: 618-22 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.077
BindingDB Entry DOI: 10.7270/Q24M94NN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228676
PNG
((S)-2-(5-chlorothiophen-2-yl)-N-(1-(4-(2-((dimethy...)
Show SMILES CN(C)Cc1nccn1-c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C22H23ClFN5O3S2/c1-27(2)14-21-25-9-11-28(21)15-3-5-19(17(24)13-15)29-10-7-18(22(29)30)26-34(31,32)12-8-16-4-6-20(23)33-16/h3-6,8-9,11-13,18,26H,7,10,14H2,1-2H3/b12-8+/t18-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by fluorescence assay


Bioorg Med Chem Lett 20: 618-22 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.077
BindingDB Entry DOI: 10.7270/Q24M94NN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50338686
PNG
((R/S)-3-chloro-N-((3S)-1-(1-(methylamino)-2,3-dihy...)
Show SMILES CNC1CCc2cc(ccc12)N1CC[C@H](NS(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)C1=O |r|
Show InChI InChI=1S/C22H23ClN4O3S/c1-24-19-7-2-13-10-14(3-5-16(13)19)27-9-8-20(22(27)28)26-31(29,30)15-4-6-17-18(23)12-25-21(17)11-15/h3-6,10-12,19-20,24-26H,2,7-9H2,1H3/t19?,20-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a activity measured using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1582-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.131
BindingDB Entry DOI: 10.7270/Q28052WG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50339718
PNG
((S)-2-(5-chlorothiophen-2-yl)-N-(2-oxo-1-(1,2,3,4-...)
Show SMILES Clc1ccc(\C=C\S(=O)(=O)N[C@H]2CCN(C2=O)c2ccc3CNCCc3c2)s1 |r|
Show InChI InChI=1S/C19H20ClN3O3S2/c20-18-4-3-16(27-18)7-10-28(25,26)22-17-6-9-23(19(17)24)15-2-1-14-12-21-8-5-13(14)11-15/h1-4,7,10-11,17,21-22H,5-6,8-9,12H2/b10-7+/t17-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1588-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.129
BindingDB Entry DOI: 10.7270/Q2RN385P
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50339708
PNG
((S)-2-(5-chlorothiophen-2-yl)-N-(1-(5-fluoro-1,2,3...)
Show SMILES Fc1c2CCNCc2ccc1N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O |r|
Show InChI InChI=1S/C19H19ClFN3O3S2/c20-17-4-2-13(28-17)7-10-29(26,27)23-15-6-9-24(19(15)25)16-3-1-12-11-22-8-5-14(12)18(16)21/h1-4,7,10,15,22-23H,5-6,8-9,11H2/b10-7+/t15-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1588-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.129
BindingDB Entry DOI: 10.7270/Q2RN385P
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50339713
PNG
((S)-6-chloro-N-(2-oxo-1-(2,3,4,5-tetrahydro-1H-ben...)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H]1CCN(C1=O)c1ccc2CNCCCc2c1 |r|
Show InChI InChI=1S/C24H24ClN3O3S/c25-20-6-3-18-14-22(8-5-17(18)12-20)32(30,31)27-23-9-11-28(24(23)29)21-7-4-19-15-26-10-1-2-16(19)13-21/h3-8,12-14,23,26-27H,1-2,9-11,15H2/t23-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1588-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.129
BindingDB Entry DOI: 10.7270/Q2RN385P
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50339716
PNG
((S)-6-chloro-N-(1-(6-fluoro-2,3,4,5-tetrahydro-1H-...)
Show SMILES Fc1c2CCCNCc2ccc1N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
Show InChI InChI=1S/C24H23ClFN3O3S/c25-18-6-3-16-13-19(7-4-15(16)12-18)33(31,32)28-21-9-11-29(24(21)30)22-8-5-17-14-27-10-1-2-20(17)23(22)26/h3-8,12-13,21,27-28H,1-2,9-11,14H2/t21-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1588-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.129
BindingDB Entry DOI: 10.7270/Q2RN385P
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50306142
PNG
(6-chloro-N-((3S)-1-(4-(1-(ethyl(methyl)amino)ethyl...)
Show SMILES CCN(C)C(C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 |r|
Show InChI InChI=1S/C25H27ClFN3O3S/c1-4-29(3)16(2)17-7-10-24(22(27)15-17)30-12-11-23(25(30)31)28-34(32,33)21-9-6-18-13-20(26)8-5-19(18)14-21/h5-10,13-16,23,28H,4,11-12H2,1-3H3/t16?,23-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by fluorescence assay


Bioorg Med Chem Lett 20: 618-22 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.077
BindingDB Entry DOI: 10.7270/Q24M94NN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50339714
PNG
((S)-3-chloro-N-(2-oxo-1-(2,3,4,5-tetrahydro-1H-ben...)
Show SMILES Clc1c[nH]c2cc(ccc12)S(=O)(=O)N[C@H]1CCN(C1=O)c1ccc2CNCCCc2c1 |r|
Show InChI InChI=1S/C22H23ClN4O3S/c23-19-13-25-21-11-17(5-6-18(19)21)31(29,30)26-20-7-9-27(22(20)28)16-4-3-15-12-24-8-1-2-14(15)10-16/h3-6,10-11,13,20,24-26H,1-2,7-9,12H2/t20-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1588-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.129
BindingDB Entry DOI: 10.7270/Q2RN385P
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50306143
PNG
(6-chloro-N-((S)-1-(4-((S)-1-(dimethylamino)ethyl)-...)
Show SMILES C[C@H](N(C)C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 |r|
Show InChI InChI=1S/C24H25ClFN3O3S/c1-15(28(2)3)16-6-9-23(21(26)14-16)29-11-10-22(24(29)30)27-33(31,32)20-8-5-17-12-19(25)7-4-18(17)13-20/h4-9,12-15,22,27H,10-11H2,1-3H3/t15-,22-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by fluorescence assay


Bioorg Med Chem Lett 20: 618-22 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.077
BindingDB Entry DOI: 10.7270/Q24M94NN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50306146
PNG
((E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1S)-1...)
Show SMILES C[C@H](N(C)C)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1 |r|
Show InChI InChI=1S/C20H23ClFN3O3S2/c1-13(24(2)3)14-4-6-18(16(22)12-14)25-10-8-17(20(25)26)23-30(27,28)11-9-15-5-7-19(21)29-15/h4-7,9,11-13,17,23H,8,10H2,1-3H3/b11-9+/t13-,17-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by fluorescence assay


Bioorg Med Chem Lett 20: 618-22 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.077
BindingDB Entry DOI: 10.7270/Q24M94NN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50306138
PNG
(CHEMBL604887 | N-((3S)-1-(4-(1-(azetidin-1-yl)ethy...)
Show SMILES CC(N1CCC1)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 |r|
Show InChI InChI=1S/C25H25ClFN3O3S/c1-16(29-10-2-11-29)17-5-8-24(22(27)15-17)30-12-9-23(25(30)31)28-34(32,33)21-7-4-18-13-20(26)6-3-19(18)14-21/h3-8,13-16,23,28H,2,9-12H2,1H3/t16?,23-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by fluorescence assay


Bioorg Med Chem Lett 20: 618-22 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.077
BindingDB Entry DOI: 10.7270/Q24M94NN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50339712
PNG
((S,E)-2-(5-chlorothiophen-2-yl)-N-(2-oxo-1-(2,3,4,...)
Show SMILES Clc1ccc(\C=C\S(=O)(=O)N[C@H]2CCN(C2=O)c2ccc3CNCCCc3c2)s1 |r|
Show InChI InChI=1S/C20H22ClN3O3S2/c21-19-6-5-17(28-19)8-11-29(26,27)23-18-7-10-24(20(18)25)16-4-3-15-13-22-9-1-2-14(15)12-16/h3-6,8,11-12,18,22-23H,1-2,7,9-10,13H2/b11-8+/t18-/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1588-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.129
BindingDB Entry DOI: 10.7270/Q2RN385P
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50306146
PNG
((E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1S)-1...)
Show SMILES C[C@H](N(C)C)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1 |r|
Show InChI InChI=1S/C20H23ClFN3O3S2/c1-13(24(2)3)14-4-6-18(16(22)12-14)25-10-8-17(20(25)26)23-30(27,28)11-9-15-5-7-19(21)29-15/h4-7,9,11-13,17,23H,8,10H2,1-3H3/b11-9+/t13-,17-/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by fluorescence assay


Bioorg Med Chem Lett 20: 618-22 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.077
BindingDB Entry DOI: 10.7270/Q24M94NN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50339720
PNG
((S)-3-chloro-N-(2-oxo-1-(1,2,3,4-tetrahydroisoquin...)
Show SMILES Clc1c[nH]c2cc(ccc12)S(=O)(=O)N[C@H]1CCN(C1=O)c1ccc2CNCCc2c1 |r|
Show InChI InChI=1S/C21H21ClN4O3S/c22-18-12-24-20-10-16(3-4-17(18)20)30(28,29)25-19-6-8-26(21(19)27)15-2-1-14-11-23-7-5-13(14)9-15/h1-4,9-10,12,19,23-25H,5-8,11H2/t19-/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1588-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.129
BindingDB Entry DOI: 10.7270/Q2RN385P
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50339717
PNG
((S)-2-(5-chlorothiophen-2-yl)-N-(1-(2-methyl-1,2,3...)
Show SMILES CN1CCc2cc(ccc2C1)N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O |r|
Show InChI InChI=1S/C20H22ClN3O3S2/c1-23-9-6-14-12-16(3-2-15(14)13-23)24-10-7-18(20(24)25)22-29(26,27)11-8-17-4-5-19(21)28-17/h2-5,8,11-12,18,22H,6-7,9-10,13H2,1H3/b11-8+/t18-/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1588-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.129
BindingDB Entry DOI: 10.7270/Q2RN385P
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50306140
PNG
(6-chloro-N-((3S)-1-(2-fluoro-4-(1-(isopropylamino)...)
Show SMILES CC(C)NC(C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 |r|
Show InChI InChI=1S/C25H27ClFN3O3S/c1-15(2)28-16(3)17-6-9-24(22(27)14-17)30-11-10-23(25(30)31)29-34(32,33)21-8-5-18-12-20(26)7-4-19(18)13-21/h4-9,12-16,23,28-29H,10-11H2,1-3H3/t16?,23-/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by fluorescence assay


Bioorg Med Chem Lett 20: 618-22 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.077
BindingDB Entry DOI: 10.7270/Q24M94NN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50338689
PNG
((R/S)-3-chloro-N-((3S)-1-(1-(dimethylamino)-2,3-di...)
Show SMILES CN(C)C1CCc2cc(ccc12)N1CC[C@H](NS(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)C1=O |r|
Show InChI InChI=1S/C23H25ClN4O3S/c1-27(2)22-8-3-14-11-15(4-6-17(14)22)28-10-9-20(23(28)29)26-32(30,31)16-5-7-18-19(24)13-25-21(18)12-16/h4-7,11-13,20,22,25-26H,3,8-10H2,1-2H3/t20-,22?/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a activity measured using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1582-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.131
BindingDB Entry DOI: 10.7270/Q28052WG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50339719
PNG
((S)-6-chloro-N-(2-oxo-1-(1,2,3,4-tetrahydroisoquin...)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H]1CCN(C1=O)c1ccc2CNCCc2c1 |r|
Show InChI InChI=1S/C23H22ClN3O3S/c24-19-4-1-16-13-21(6-3-15(16)11-19)31(29,30)26-22-8-10-27(23(22)28)20-5-2-18-14-25-9-7-17(18)12-20/h1-6,11-13,22,25-26H,7-10,14H2/t22-/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1588-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.129
BindingDB Entry DOI: 10.7270/Q2RN385P
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50339711
PNG
((S)-3-chloro-N-(1-(7-fluoro-1,2,3,4-tetrahydroisoq...)
Show SMILES Fc1cc2CNCCc2cc1N1CC[C@H](NS(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)C1=O |r|
Show InChI InChI=1S/C21H20ClFN4O3S/c22-16-11-25-19-9-14(1-2-15(16)19)31(29,30)26-18-4-6-27(21(18)28)20-8-12-3-5-24-10-13(12)7-17(20)23/h1-2,7-9,11,18,24-26H,3-6,10H2/t18-/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1588-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.129
BindingDB Entry DOI: 10.7270/Q2RN385P
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50339715
PNG
((S)-2-(5-chlorothiophen-2-yl)-N-(1-(6-fluoro-2,3,4...)
Show SMILES Fc1c2CCCNCc2ccc1N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O |r|
Show InChI InChI=1S/C20H21ClFN3O3S2/c21-18-6-4-14(29-18)8-11-30(27,28)24-16-7-10-25(20(16)26)17-5-3-13-12-23-9-1-2-15(13)19(17)22/h3-6,8,11,16,23-24H,1-2,7,9-10,12H2/b11-8+/t16-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1588-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.129
BindingDB Entry DOI: 10.7270/Q2RN385P
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50339706
PNG
((S)-6-chloro-N-(1-(5-fluoro-1,2,3,4-tetrahydroisoq...)
Show SMILES Fc1c2CCNCc2ccc1N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
Show InChI InChI=1S/C23H21ClFN3O3S/c24-17-4-1-15-12-18(5-2-14(15)11-17)32(30,31)27-20-8-10-28(23(20)29)21-6-3-16-13-26-9-7-19(16)22(21)25/h1-6,11-12,20,26-27H,7-10,13H2/t20-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1588-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.129
BindingDB Entry DOI: 10.7270/Q2RN385P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50306148
PNG
((S)-4-(3-(2-(5-chlorothiophen-2-yl)vinylsulfonamid...)
Show SMILES CN(C)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1 |r|
Show InChI InChI=1S/C19H19ClFN3O4S2/c1-23(2)18(25)12-3-5-16(14(21)11-12)24-9-7-15(19(24)26)22-30(27,28)10-8-13-4-6-17(20)29-13/h3-6,8,10-11,15,22H,7,9H2,1-2H3/b10-8+/t15-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by fluorescence assay


Bioorg Med Chem Lett 20: 618-22 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.077
BindingDB Entry DOI: 10.7270/Q24M94NN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50338677
PNG
(6-CHLORO-N-((3S)-2-OXO-1-{4-[(2S)-2-PYRROLIDINYL]P...)
Show SMILES Fc1cc(ccc1N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C24H23ClFN3O3S/c25-18-6-3-16-13-19(7-4-15(16)12-18)33(31,32)28-22-9-11-29(24(22)30)23-8-5-17(14-20(23)26)21-2-1-10-27-21/h3-8,12-14,21-22,27-28H,1-2,9-11H2/t21-,22-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a activity measured using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1582-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.131
BindingDB Entry DOI: 10.7270/Q28052WG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50338682
PNG
((R/S)-3-chloro-N-((3S)-1-(2-fluoro-4-(pyrrolidin-2...)
Show SMILES Fc1cc(ccc1N1CC[C@H](NS(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)C1=O)C1CCCN1 |r|
Show InChI InChI=1S/C22H22ClFN4O3S/c23-16-12-26-20-11-14(4-5-15(16)20)32(30,31)27-19-7-9-28(22(19)29)21-6-3-13(10-17(21)24)18-2-1-8-25-18/h3-6,10-12,18-19,25-27H,1-2,7-9H2/t18?,19-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a activity measured using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1582-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.131
BindingDB Entry DOI: 10.7270/Q28052WG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50306134
PNG
(6-chloro-N-((S)-1-(2-fluoro-4-((S)-1-(methylamino)...)
Show SMILES CN[C@@H](C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 |r|
Show InChI InChI=1S/C23H23ClFN3O3S/c1-14(26-2)15-5-8-22(20(25)13-15)28-10-9-21(23(28)29)27-32(30,31)19-7-4-16-11-18(24)6-3-17(16)12-19/h3-8,11-14,21,26-27H,9-10H2,1-2H3/t14-,21-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1588-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.129
BindingDB Entry DOI: 10.7270/Q2RN385P
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50338678
PNG
(6-CHLORO-N-((3S)-2-OXO-1-{4-[(2R)-2--PYRROLIDINYL]...)
Show SMILES Fc1cc(ccc1N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)[C@H]1CCCN1 |r|
Show InChI InChI=1S/C24H23ClFN3O3S/c25-18-6-3-16-13-19(7-4-15(16)12-18)33(31,32)28-22-9-11-29(24(22)30)23-8-5-17(14-20(23)26)21-2-1-10-27-21/h3-8,12-14,21-22,27-28H,1-2,9-11H2/t21-,22+/m1/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a activity measured using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1582-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.131
BindingDB Entry DOI: 10.7270/Q28052WG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50306147
PNG
((E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1R)-1...)
Show SMILES C[C@@H](N(C)C)c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1 |r|
Show InChI InChI=1S/C20H23ClFN3O3S2/c1-13(24(2)3)14-4-6-18(16(22)12-14)25-10-8-17(20(25)26)23-30(27,28)11-9-15-5-7-19(21)29-15/h4-7,9,11-13,17,23H,8,10H2,1-3H3/b11-9+/t13-,17+/m1/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by fluorescence assay


Bioorg Med Chem Lett 20: 618-22 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.077
BindingDB Entry DOI: 10.7270/Q24M94NN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50306144
PNG
(6-chloro-N-((S)-1-(4-((R)-1-(dimethylamino)ethyl)-...)
Show SMILES C[C@@H](N(C)C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 |r|
Show InChI InChI=1S/C24H25ClFN3O3S/c1-15(28(2)3)16-6-9-23(21(26)14-16)29-11-10-22(24(29)30)27-33(31,32)20-8-5-17-12-19(25)7-4-18(17)13-20/h4-9,12-15,22,27H,10-11H2,1-3H3/t15-,22+/m1/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by fluorescence assay


Bioorg Med Chem Lett 20: 618-22 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.077
BindingDB Entry DOI: 10.7270/Q24M94NN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50306143
PNG
(6-chloro-N-((S)-1-(4-((S)-1-(dimethylamino)ethyl)-...)
Show SMILES C[C@H](N(C)C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 |r|
Show InChI InChI=1S/C24H25ClFN3O3S/c1-15(28(2)3)16-6-9-23(21(26)14-16)29-11-10-22(24(29)30)27-33(31,32)20-8-5-17-12-19(25)7-4-18(17)13-20/h4-9,12-15,22,27H,10-11H2,1-3H3/t15-,22-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by fluorescence assay


Bioorg Med Chem Lett 20: 618-22 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.077
BindingDB Entry DOI: 10.7270/Q24M94NN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50306141
PNG
(6-chloro-N-((3S)-1-(4-(1-(ethylamino)ethyl)-2-fluo...)
Show SMILES CCNC(C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 |r|
Show InChI InChI=1S/C24H25ClFN3O3S/c1-3-27-15(2)16-6-9-23(21(26)14-16)29-11-10-22(24(29)30)28-33(31,32)20-8-5-17-12-19(25)7-4-18(17)13-20/h4-9,12-15,22,27-28H,3,10-11H2,1-2H3/t15?,22-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by fluorescence assay


Bioorg Med Chem Lett 20: 618-22 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.077
BindingDB Entry DOI: 10.7270/Q24M94NN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50306134
PNG
(6-chloro-N-((S)-1-(2-fluoro-4-((S)-1-(methylamino)...)
Show SMILES CN[C@@H](C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 |r|
Show InChI InChI=1S/C23H23ClFN3O3S/c1-14(26-2)15-5-8-22(20(25)13-15)28-10-9-21(23(28)29)27-32(30,31)19-7-4-16-11-18(24)6-3-17(16)12-19/h3-8,11-14,21,26-27H,9-10H2,1-2H3/t14-,21-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by fluorescence assay


Bioorg Med Chem Lett 20: 618-22 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.077
BindingDB Entry DOI: 10.7270/Q24M94NN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50339709
PNG
((S)-2-(5-chlorothiophen-2-yl)-N-(1-(7-fluoro-1,2,3...)
Show SMILES Fc1cc2CNCCc2cc1N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O |r|
Show InChI InChI=1S/C19H19ClFN3O3S2/c20-18-2-1-14(28-18)5-8-29(26,27)23-16-4-7-24(19(16)25)17-10-12-3-6-22-11-13(12)9-15(17)21/h1-2,5,8-10,16,22-23H,3-4,6-7,11H2/b8-5+/t16-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1588-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.129
BindingDB Entry DOI: 10.7270/Q2RN385P
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50339710
PNG
((S)-3-chloro-N-(1-(5-fluoro-1,2,3,4-tetrahydroisoq...)
Show SMILES Fc1c2CCNCc2ccc1N1CC[C@H](NS(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)C1=O |r|
Show InChI InChI=1S/C21H20ClFN4O3S/c22-16-11-25-18-9-13(2-3-15(16)18)31(29,30)26-17-6-8-27(21(17)28)19-4-1-12-10-24-7-5-14(12)20(19)23/h1-4,9,11,17,24-26H,5-8,10H2/t17-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1588-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.129
BindingDB Entry DOI: 10.7270/Q2RN385P
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50306134
PNG
(6-chloro-N-((S)-1-(2-fluoro-4-((S)-1-(methylamino)...)
Show SMILES CN[C@@H](C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 |r|
Show InChI InChI=1S/C23H23ClFN3O3S/c1-14(26-2)15-5-8-22(20(25)13-15)28-10-9-21(23(28)29)27-32(30,31)19-7-4-16-11-18(24)6-3-17(16)12-19/h3-8,11-14,21,26-27H,9-10H2,1-2H3/t14-,21-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a activity measured using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1582-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.131
BindingDB Entry DOI: 10.7270/Q28052WG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50338691
PNG
(6-CHLORO-N-[(3S)-1-[(1S)-1-DIMETHYLAMINO-2,3-DIHYD...)
Show SMILES CN(C)[C@H]1CCc2cc(ccc12)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
Show InChI InChI=1S/C25H26ClN3O3S/c1-28(2)24-10-5-18-14-20(7-9-22(18)24)29-12-11-23(25(29)30)27-33(31,32)21-8-4-16-13-19(26)6-3-17(16)15-21/h3-4,6-9,13-15,23-24,27H,5,10-12H2,1-2H3/t23-,24-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a activity measured using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1582-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.131
BindingDB Entry DOI: 10.7270/Q28052WG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50306137
PNG
(6-chloro-N-((3S)-1-(2-fluoro-4-(1-(pyrrolidin-1-yl...)
Show SMILES CC(N1CCCC1)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 |r|
Show InChI InChI=1S/C26H27ClFN3O3S/c1-17(30-11-2-3-12-30)18-6-9-25(23(28)16-18)31-13-10-24(26(31)32)29-35(33,34)22-8-5-19-14-21(27)7-4-20(19)15-22/h4-9,14-17,24,29H,2-3,10-13H2,1H3/t17?,24-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by fluorescence assay


Bioorg Med Chem Lett 20: 618-22 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.077
BindingDB Entry DOI: 10.7270/Q24M94NN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50306136
PNG
(6-chloro-N-((3S)-1-(2-fluoro-4-(1-(piperidin-1-yl)...)
Show SMILES CC(N1CCCCC1)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 |r|
Show InChI InChI=1S/C27H29ClFN3O3S/c1-18(31-12-3-2-4-13-31)19-7-10-26(24(29)17-19)32-14-11-25(27(32)33)30-36(34,35)23-9-6-20-15-22(28)8-5-21(20)16-23/h5-10,15-18,25,30H,2-4,11-14H2,1H3/t18?,25-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by fluorescence assay


Bioorg Med Chem Lett 20: 618-22 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.077
BindingDB Entry DOI: 10.7270/Q24M94NN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50338680
PNG
((E)-2-(5-chlorothiophen-2-yl)-N-((S)-1-(2-fluoro-4...)
Show SMILES Fc1cc(ccc1N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)[C@H]1CCCN1 |r|
Show InChI InChI=1S/C20H21ClFN3O3S2/c21-19-6-4-14(29-19)8-11-30(27,28)24-17-7-10-25(20(17)26)18-5-3-13(12-15(18)22)16-2-1-9-23-16/h3-6,8,11-12,16-17,23-24H,1-2,7,9-10H2/b11-8+/t16-,17+/m1/s1
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3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a activity measured using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1582-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.131
BindingDB Entry DOI: 10.7270/Q28052WG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50338690
PNG
(6-CHLORO-N-{(3S)-1-[(1S)-1-(DIMETHYLAMINO)-2,3-DIH...)
Show SMILES CN(C)[C@@H]1CCc2cc(ccc12)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
Show InChI InChI=1S/C25H26ClN3O3S/c1-28(2)24-10-5-18-14-20(7-9-22(18)24)29-12-11-23(25(29)30)27-33(31,32)21-8-4-16-13-19(26)6-3-17(16)15-21/h3-4,6-9,13-15,23-24,27H,5,10-12H2,1-2H3/t23-,24+/m0/s1
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3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a activity measured using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1582-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.131
BindingDB Entry DOI: 10.7270/Q28052WG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50339707
PNG
((S)-6-chloro-N-(1-(7-fluoro-1,2,3,4-tetrahydroisoq...)
Show SMILES Fc1cc2CNCCc2cc1N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
Show InChI InChI=1S/C23H21ClFN3O3S/c24-18-3-1-15-10-19(4-2-14(15)9-18)32(30,31)27-21-6-8-28(23(21)29)22-12-16-5-7-26-13-17(16)11-20(22)25/h1-4,9-12,21,26-27H,5-8,13H2/t21-/m0/s1
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3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1588-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.129
BindingDB Entry DOI: 10.7270/Q2RN385P
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50338677
PNG
(6-CHLORO-N-((3S)-2-OXO-1-{4-[(2S)-2-PYRROLIDINYL]P...)
Show SMILES Fc1cc(ccc1N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C24H23ClFN3O3S/c25-18-6-3-16-13-19(7-4-15(16)12-18)33(31,32)28-22-9-11-29(24(22)30)23-8-5-17(14-20(23)26)21-2-1-10-27-21/h3-8,12-14,21-22,27-28H,1-2,9-11H2/t21-,22-/m0/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a activity measured using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1582-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.131
BindingDB Entry DOI: 10.7270/Q28052WG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50338692
PNG
((R/S)-(E)-2-(5-chlorothiophen-2-yl)-N-((3S)-1-(1-(...)
Show SMILES CN(C)C1CCc2cc(ccc12)N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O |r|
Show InChI InChI=1S/C21H24ClN3O3S2/c1-24(2)19-7-3-14-13-15(4-6-17(14)19)25-11-9-18(21(25)26)23-30(27,28)12-10-16-5-8-20(22)29-16/h4-6,8,10,12-13,18-19,23H,3,7,9,11H2,1-2H3/b12-10+/t18-,19?/m0/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a activity measured using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1582-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.131
BindingDB Entry DOI: 10.7270/Q28052WG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17643
PNG
((E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(m...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C17H22ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,5,11-12,14,19H,4,6-10H2,1H3/b11-5+/t12-,14-/m0/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a activity measured using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1582-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.131
BindingDB Entry DOI: 10.7270/Q28052WG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50306135
PNG
(6-chloro-N-((S)-1-(2-fluoro-4-((R)-1-(methylamino)...)
Show SMILES CN[C@H](C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 |r|
Show InChI InChI=1S/C23H23ClFN3O3S/c1-14(26-2)15-5-8-22(20(25)13-15)28-10-9-21(23(28)29)27-32(30,31)19-7-4-16-11-18(24)6-3-17(16)12-19/h3-8,11-14,21,26-27H,9-10H2,1-2H3/t14-,21+/m1/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by fluorescence assay


Bioorg Med Chem Lett 20: 618-22 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.077
BindingDB Entry DOI: 10.7270/Q24M94NN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17643
PNG
((E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(m...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C17H22ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,5,11-12,14,19H,4,6-10H2,1H3/b11-5+/t12-,14-/m0/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by fluorescence assay


Bioorg Med Chem Lett 20: 618-22 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.077
BindingDB Entry DOI: 10.7270/Q24M94NN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50338688
PNG
((R/S)-(E)-2-(5-chlorothiophen-2-yl)-N-((3S)-1-(1-(...)
Show SMILES CNC1CCc2cc(ccc12)N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O |r|
Show InChI InChI=1S/C20H22ClN3O3S2/c1-22-17-6-2-13-12-14(3-5-16(13)17)24-10-8-18(20(24)25)23-29(26,27)11-9-15-4-7-19(21)28-15/h3-5,7,9,11-12,17-18,22-23H,2,6,8,10H2,1H3/b11-9+/t17?,18-/m0/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a activity measured using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1582-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.131
BindingDB Entry DOI: 10.7270/Q28052WG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50338687
PNG
((R/S)-6-chloro-N-((3S)-1-(1-(methylamino)-2,3-dihy...)
Show SMILES CNC1CCc2cc(ccc12)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
Show InChI InChI=1S/C24H24ClN3O3S/c1-26-22-9-4-17-13-19(6-8-21(17)22)28-11-10-23(24(28)29)27-32(30,31)20-7-3-15-12-18(25)5-2-16(15)14-20/h2-3,5-8,12-14,22-23,26-27H,4,9-11H2,1H3/t22?,23-/m0/s1
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a activity measured using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1582-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.131
BindingDB Entry DOI: 10.7270/Q28052WG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50338685
PNG
((R/S)-N-((3S)-1-(1-amino-2,3-dihydro-1H-inden-5-yl...)
Show SMILES NC1CCc2cc(ccc12)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
Show InChI InChI=1S/C23H22ClN3O3S/c24-17-4-1-15-13-19(6-2-14(15)11-17)31(29,30)26-22-9-10-27(23(22)28)18-5-7-20-16(12-18)3-8-21(20)25/h1-2,4-7,11-13,21-22,26H,3,8-10,25H2/t21?,22-/m0/s1
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a activity measured using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1582-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.131
BindingDB Entry DOI: 10.7270/Q28052WG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50306145
PNG
(6-chloro-N-((3S)-1-(4-(1-(dimethylamino)ethyl)-2-f...)
Show SMILES CC(N(C)C)c1ccc(N2CC[C@H](NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1 |r|
Show InChI InChI=1S/C22H23ClFN3O3S2/c1-13(26(2)3)14-5-7-19(17(24)10-14)27-9-8-18(22(27)28)25-32(29,30)21-11-15-4-6-16(23)12-20(15)31-21/h4-7,10-13,18,25H,8-9H2,1-3H3/t13?,18-/m0/s1
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by fluorescence assay


Bioorg Med Chem Lett 20: 618-22 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.077
BindingDB Entry DOI: 10.7270/Q24M94NN
More data for this
Ligand-Target Pair
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