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Compile Data Set for Download or QSAR

Found 273 hits with Last Name = 'kurtis' and Initial = 'cl'   
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))
BDBM50228930
PNG
((E)-2-(6-chloro-benzo[b]thiophen-2-yl)-ethenesulfo...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)\C=C\c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1 |w:17.18|
Show InChI InChI=1S/C27H22ClFN2O5S3/c1-38(33,34)26-5-3-2-4-21(26)17-7-9-24(22(29)15-17)31-12-10-23(27(31)32)30-39(35,36)13-11-20-14-18-6-8-19(28)16-25(18)37-20/h2-9,11,13-16,23,30H,10,12H2,1H3/b13-11+
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0.100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
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))
BDBM50374259
PNG
(CHEMBL257741)
Show SMILES CN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)\C=C(/C)c3ccc(Cl)s3)C2=O)c(F)c1 |w:16.17|
Show InChI InChI=1S/C23H25ClFN5O3S2/c1-15(20-6-7-21(24)34-20)14-35(32,33)27-18-8-10-30(23(18)31)19-5-4-16(12-17(19)25)29-11-9-26-22(29)13-28(2)3/h4-7,9,11-12,14,18,27H,8,10,13H2,1-3H3/b15-14+
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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 18: 28-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.019
BindingDB Entry DOI: 10.7270/Q29024PS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228950
PNG
((E)-2-(5-chloro-thiophen-2-yl)-ethenesulfonic acid...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1 |w:17.18|
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+
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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
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 factor 10a


Bioorg Med Chem Lett 18: 28-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.019
BindingDB Entry DOI: 10.7270/Q29024PS
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))
BDBM50374262
PNG
(CHEMBL272779)
Show SMILES CCN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1 |w:17.18|
Show InChI InChI=1S/C23H25ClFN5O3S2/c1-3-28(2)15-22-26-10-12-29(22)16-4-6-20(18(25)14-16)30-11-8-19(23(30)31)27-35(32,33)13-9-17-5-7-21(24)34-17/h4-7,9-10,12-14,19,27H,3,8,11,15H2,1-2H3/b13-9+
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0.400n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 18: 28-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.019
BindingDB Entry DOI: 10.7270/Q29024PS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228954
PNG
((E)-2-(6-(3-(2-(5-chlorothiophen-2-yl)vinylsulfona...)
Show SMILES CN(C)S(=O)(=O)c1ccccc1-c1ccc(nc1)N1CCC(NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O |w:21.23|
Show InChI InChI=1S/C23H23ClN4O5S3/c1-27(2)36(32,33)20-6-4-3-5-18(20)16-7-10-22(25-15-16)28-13-11-19(23(28)29)26-35(30,31)14-12-17-8-9-21(24)34-17/h3-10,12,14-15,19,26H,11,13H2,1-2H3/b14-12+
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0.400n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50374264
PNG
(CHEMBL257863)
Show SMILES Fc1cc(ccc1N1CCC(NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)-n1ccnc1CN1CCCC1 |w:10.11|
Show InChI InChI=1S/C24H25ClFN5O3S2/c25-22-6-4-18(35-22)8-14-36(33,34)28-20-7-12-31(24(20)32)21-5-3-17(15-19(21)26)30-13-9-27-23(30)16-29-10-1-2-11-29/h3-6,8-9,13-15,20,28H,1-2,7,10-12,16H2/b14-8+
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0.400n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 18: 28-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.019
BindingDB Entry DOI: 10.7270/Q29024PS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50374270
PNG
(CHEMBL271015)
Show SMILES CN(C)Cc1nocc1-c1ccc(N2CCC(NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1 |w:16.17|
Show InChI InChI=1S/C22H22ClFN4O4S2/c1-27(2)12-19-16(13-32-25-19)14-3-5-20(17(24)11-14)28-9-7-18(22(28)29)26-34(30,31)10-8-15-4-6-21(23)33-15/h3-6,8,10-11,13,18,26H,7,9,12H2,1-2H3/b10-8+
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0.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 18: 28-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.019
BindingDB Entry DOI: 10.7270/Q29024PS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50328712
PNG
((S)-6-chloro-N-(1-(4-(2-((dimethylamino)methyl)-1H...)
Show SMILES CN(C)Cc1nccn1-c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 |r|
Show InChI InChI=1S/C26H25ClFN5O3S/c1-31(2)16-25-29-10-12-32(25)20-6-8-24(22(28)15-20)33-11-9-23(26(33)34)30-37(35,36)21-7-4-17-13-19(27)5-3-18(17)14-21/h3-8,10,12-15,23,30H,9,11,16H2,1-2H3/t23-/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


Bioorg Med Chem Lett 18: 28-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.019
BindingDB Entry DOI: 10.7270/Q29024PS
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))
BDBM50374263
PNG
(CHEMBL437097)
Show SMILES CC(C)N(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1 |w:18.19|
Show InChI InChI=1S/C24H27ClFN5O3S2/c1-16(2)29(3)15-23-27-10-12-30(23)17-4-6-21(19(26)14-17)31-11-8-20(24(31)32)28-36(33,34)13-9-18-5-7-22(25)35-18/h4-7,9-10,12-14,16,20,28H,8,11,15H2,1-3H3/b13-9+
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0.600n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 18: 28-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.019
BindingDB Entry DOI: 10.7270/Q29024PS
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))
BDBM50228940
PNG
(6-chloro-N-(1-(4-(2-cyanopyridin-3-yl)-2-fluorophe...)
Show SMILES Fc1cc(ccc1N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)-c1cccnc1C#N |w:10.11|
Show InChI InChI=1S/C26H18ClFN4O3S/c27-19-6-3-17-13-20(7-4-16(17)12-19)36(34,35)31-23-9-11-32(26(23)33)25-8-5-18(14-22(25)28)21-2-1-10-30-24(21)15-29/h1-8,10,12-14,23,31H,9,11H2
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0.700n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
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))
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))
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))
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))
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))
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))
BDBM50374274
PNG
(CHEMBL403111)
Show SMILES CN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1 |w:16.17|
Show InChI InChI=1S/C24H23ClFN5O3S2/c1-29(2)14-22-27-8-10-30(22)17-5-6-20(18(26)13-17)31-9-7-19(24(31)32)28-36(33,34)23-11-15-3-4-16(25)12-21(15)35-23/h3-6,8,10-13,19,28H,7,9,14H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 18: 28-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.019
BindingDB Entry DOI: 10.7270/Q29024PS
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))
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))
BDBM12569
PNG
(GTC000006A | N-(6-chloronaphthalen-2-yl)-N'-[(3S)-...)
Show SMILES CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 |r|
Show InChI InChI=1S/C25H30ClN3O6S/c1-3-21(30)16-29(36(33,34)22-7-5-18-14-20(26)6-4-19(18)15-22)23-8-9-28(25(23)32)17(2)24(31)27-10-12-35-13-11-27/h4-7,14-15,17,23H,3,8-13,16H2,1-2H3/t17-,23-/m0/s1
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1 -51.4n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
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))
BDBM12557
PNG
(6-chloro-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(piperidin-...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C22H26ClN3O4S/c1-15(21(27)25-10-3-2-4-11-25)26-12-9-20(22(26)28)24-31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,20,24H,2-4,9-12H2,1H3/t15-,20-/m0/s1
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1 -51.4n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12545
PNG
((2S)-N-[2-(1H-azepin-1-yl)ethyl]-2-[(3S)-3-{2-[(6-...)
Show SMILES CC(C)N(CCN1C=CC=CC=C1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r,c:7,9,11|
Show InChI InChI=1S/C30H36ClN5O5S/c1-21(2)34(17-16-33-13-6-4-5-7-14-33)29(38)22(3)35-15-12-27(30(35)39)36(20-28(32)37)42(40,41)26-11-9-23-18-25(31)10-8-24(23)19-26/h4-11,13-14,18-19,21-22,27H,12,15-17,20H2,1-3H3,(H2,32,37)/t22-,27-/m0/s1
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<1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12544
PNG
((2S)-2-[(3S)-3-{2-[(6-chloronaphthalene-2-)sulfona...)
Show SMILES CC(C)N(CCN1CCOCC1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
Show InChI InChI=1S/C28H38ClN5O6S/c1-19(2)32(11-10-31-12-14-40-15-13-31)27(36)20(3)33-9-8-25(28(33)37)34(18-26(30)35)41(38,39)24-7-5-21-16-23(29)6-4-22(21)17-24/h4-7,16-17,19-20,25H,8-15,18H2,1-3H3,(H2,30,35)/t20-,25-/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12543
PNG
((2S)-2-[(3S)-3-{2-[(6-chloronaphthalene-2-)sulfona...)
Show SMILES CC(C)N(CCN1CCCCC1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
Show InChI InChI=1S/C29H40ClN5O5S/c1-20(2)33(16-15-32-12-5-4-6-13-32)28(37)21(3)34-14-11-26(29(34)38)35(19-27(31)36)41(39,40)25-10-8-22-17-24(30)9-7-23(22)18-25/h7-10,17-18,20-21,26H,4-6,11-16,19H2,1-3H3,(H2,31,36)/t21-,26-/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12542
PNG
((2S)-2-[(3S)-3-{2-[(6-chloronaphthalene-2-)sulfona...)
Show SMILES CC(C)N(CCNS(C)(=O)=O)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
Show InChI InChI=1S/C25H34ClN5O7S2/c1-16(2)29(12-10-28-39(4,35)36)24(33)17(3)30-11-9-22(25(30)34)31(15-23(27)32)40(37,38)21-8-6-18-13-20(26)7-5-19(18)14-21/h5-8,13-14,16-17,22,28H,9-12,15H2,1-4H3,(H2,27,32)/t17-,22-/m0/s1
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<1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12541
PNG
((2S)-N-[2-(carbamoylamino)ethyl]-2-[(3S)-3-{2-[(6-...)
Show SMILES CC(C)N(CCNC(N)=O)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
Show InChI InChI=1S/C25H33ClN6O6S/c1-15(2)30(11-9-29-25(28)36)23(34)16(3)31-10-8-21(24(31)35)32(14-22(27)33)39(37,38)20-7-5-17-12-19(26)6-4-18(17)13-20/h4-7,12-13,15-16,21H,8-11,14H2,1-3H3,(H2,27,33)(H3,28,29,36)/t16-,21-/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
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))
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))
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))
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))
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))
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))
BDBM12528
PNG
((2S)-2-[(3S)-3-[(6-chloronaphthalene-2-)sulfonamid...)
Show SMILES CC(C)N(CCNS(C)(=O)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
Show InChI InChI=1S/C23H31ClN4O6S2/c1-15(2)27(12-10-25-35(4,31)32)22(29)16(3)28-11-9-21(23(28)30)26-36(33,34)20-8-6-17-13-19(24)7-5-18(17)14-20/h5-8,13-16,21,25-26H,9-12H2,1-4H3/t16-,21-/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM12539
PNG
((2S)-2-[(3S)-3-{2-[(6-chloronaphthalene-2-)sulfona...)
Show SMILES CC(C)N(CCO)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
Show InChI InChI=1S/C24H31ClN4O6S/c1-15(2)27(10-11-30)23(32)16(3)28-9-8-21(24(28)33)29(14-22(26)31)36(34,35)20-7-5-17-12-19(25)6-4-18(17)13-20/h4-7,12-13,15-16,21,30H,8-11,14H2,1-3H3,(H2,26,31)/t16-,21-/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12540
PNG
((2S)-N-(2-aminoethyl)-2-[(3S)-3-{2-[(6-chloronapht...)
Show SMILES CC(C)N(CCN)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
Show InChI InChI=1S/C24H32ClN5O5S/c1-15(2)28(11-9-26)23(32)16(3)29-10-8-21(24(29)33)30(14-22(27)31)36(34,35)20-7-5-17-12-19(25)6-4-18(17)13-20/h4-7,12-13,15-16,21H,8-11,14,26H2,1-3H3,(H2,27,31)/t16-,21-/m0/s1
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<1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228932
PNG
(6-chloro-N-(1-(2-fluoro-4-(1-methyl-1H-imidazol-2-...)
Show SMILES Cn1ccnc1-c1ccc(N2CCC(NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 |w:13.14|
Show InChI InChI=1S/C24H20ClFN4O3S/c1-29-11-9-27-23(29)17-4-7-22(20(26)14-17)30-10-8-21(24(30)31)28-34(32,33)19-6-3-15-12-18(25)5-2-16(15)13-19/h2-7,9,11-14,21,28H,8,10H2,1H3
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1.10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228947
PNG
(6-chloro-benzofuran-2-sulfonic acid [1-(3-fluoro-2...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)c3cc4ccc(Cl)cc4o3)C2=O)c(F)c1 |w:17.18|
Show InChI InChI=1S/C25H20ClFN2O6S2/c1-36(31,32)23-5-3-2-4-18(23)15-7-9-21(19(27)12-15)29-11-10-20(25(29)30)28-37(33,34)24-13-16-6-8-17(26)14-22(16)35-24/h2-9,12-14,20,28H,10-11H2,1H3
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1.10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50374265
PNG
(CHEMBL257862)
Show SMILES Fc1cc(ccc1N1CCC(NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)-n1ccnc1CN1CCOCC1 |w:10.11|
Show InChI InChI=1S/C24H25ClFN5O4S2/c25-22-4-2-18(36-22)6-14-37(33,34)28-20-5-8-31(24(20)32)21-3-1-17(15-19(21)26)30-9-7-27-23(30)16-29-10-12-35-13-11-29/h1-4,6-7,9,14-15,20,28H,5,8,10-13,16H2/b14-6+
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1.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 18: 28-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.019
BindingDB Entry DOI: 10.7270/Q29024PS
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))
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))
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))
BDBM50228935
PNG
((E)-2-(5-chloro-thiophen-2-yl)-ethenesulfonic acid...)
Show SMILES Clc1ccc(\C=C\S(=O)(=O)NC2CCN(C2=O)c2ccc(cn2)-c2ccccc2C#N)s1 |w:11.10|
Show InChI InChI=1S/C22H17ClN4O3S2/c23-20-7-6-17(31-20)10-12-32(29,30)26-19-9-11-27(22(19)28)21-8-5-16(14-25-21)18-4-2-1-3-15(18)13-24/h1-8,10,12,14,19,26H,9,11H2/b12-10+
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1.80n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
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
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