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Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'charbaut' and Initial = 'm'   
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
Show InChI InChI=1/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 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))
BDBM50374259
PNG
(CHEMBL257741)
Show SMILES CN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)\C=C(/C)c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1/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
Show InChI InChI=1/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))
BDBM50374264
PNG
(CHEMBL257863)
Show SMILES Fc1cc(ccc1N1CCC(NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)-n1ccnc1CN1CCCC1
Show InChI InChI=1/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))
BDBM50374262
PNG
(CHEMBL272779)
Show SMILES CCN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1/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
Show InChI InChI=1/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))
BDBM50374270
PNG
(CHEMBL271015)
Show SMILES CN(C)Cc1nocc1-c1ccc(N2CCC(NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1/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
Show InChI InChI=1/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-/s2
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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))
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
Show InChI InChI=1/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))
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
Show InChI InChI=1/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))
BDBM50374274
PNG
(CHEMBL403111)
Show SMILES CN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1
Show InChI InChI=1/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))
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
Show InChI InChI=1/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
Show InChI InChI=1/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
Show InChI InChI=1/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))
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
Show InChI InChI=1/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))
BDBM50228941
PNG
(5-chloro-thieno[3,2-b]pyridine-2-sulfonic acid [1-...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c(F)c1
Show InChI InChI=1/C24H19ClFN3O5S3/c1-36(31,32)21-5-3-2-4-15(21)14-6-7-19(16(26)12-14)29-11-10-17(24(29)30)28-37(33,34)23-13-18-20(35-23)8-9-22(25)27-18/h2-9,12-13,17,28H,10-11H2,1H3
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2n/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))
BDBM50374275
PNG
(CHEMBL270178)
Show SMILES CN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)c3ncc(s3)-c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1/C23H22ClFN6O3S3/c1-29(2)13-21-26-8-10-30(21)14-3-4-17(15(25)11-14)31-9-7-16(22(31)32)28-37(33,34)23-27-12-19(36-23)18-5-6-20(24)35-18/h3-6,8,10-12,16,28H,7,9,13H2,1-2H3
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2.30n/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))
BDBM50228936
PNG
(6-chloro-N-(1-(2-fluoro-4-(1H-pyrazol-1-yl)phenyl)...)
Show SMILES Fc1cc(ccc1N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)-n1cccn1
Show InChI InChI=1/C23H18ClFN4O3S/c24-17-4-2-16-13-19(6-3-15(16)12-17)33(31,32)27-21-8-11-28(23(21)30)22-7-5-18(14-20(22)25)29-10-1-9-26-29/h1-7,9-10,12-14,21,27H,8,11H2
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2.70n/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))
BDBM50374276
PNG
(CHEMBL404346)
Show SMILES CN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)CCc3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1/C22H25ClFN5O3S2/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/h3-6,9,11,13,18,26H,7-8,10,12,14H2,1-2H3
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3.10n/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))
BDBM50228949
PNG
(6-chloro-N-(1-(2-fluoro-4-(1H-imidazol-1-yl)phenyl...)
Show SMILES Fc1cc(ccc1N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)-n1ccnc1
Show InChI InChI=1/C23H18ClFN4O3S/c24-17-3-1-16-12-19(5-2-15(16)11-17)33(31,32)27-21-7-9-29(23(21)30)22-6-4-18(13-20(22)25)28-10-8-26-14-28/h1-6,8,10-14,21,27H,7,9H2
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4.40n/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))
BDBM50374273
PNG
(CHEMBL277959)
Show SMILES CN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)c3cc4cc(Cl)ccc4s3)C2=O)c(F)c1
Show InChI InChI=1/C24H23ClFN5O3S2/c1-29(2)14-22-27-8-10-30(22)17-4-5-20(18(26)13-17)31-9-7-19(24(31)32)28-36(33,34)23-12-15-11-16(25)3-6-21(15)35-23/h3-6,8,10-13,19,28H,7,9,14H2,1-2H3
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4.5n/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))
BDBM50374260
PNG
(CHEMBL270430)
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-/m1/s1
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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))
BDBM50374272
PNG
(CHEMBL270592)
Show SMILES CN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)c3ccc4[nH]cc(Cl)c4c3)C2=O)c(F)c1
Show InChI InChI=1/C24H24ClFN6O3S/c1-30(2)14-23-27-8-10-31(23)15-3-6-22(19(26)11-15)32-9-7-21(24(32)33)29-36(34,35)16-4-5-20-17(12-16)18(25)13-28-20/h3-6,8,10-13,21,28-29H,7,9,14H2,1-2H3
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5.90n/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))
BDBM50228946
PNG
((E)-2-(5-chlorothiophen-2-yl)-N-(2-oxo-1-(5-(2-(tr...)
Show SMILES FC(F)(F)c1ccccc1-c1ccc(nc1)N1CCC(NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O
Show InChI InChI=1/C22H17ClF3N3O3S2/c23-19-7-6-15(33-19)10-12-34(31,32)28-18-9-11-29(21(18)30)20-8-5-14(13-27-20)16-3-1-2-4-17(16)22(24,25)26/h1-8,10,12-13,18,28H,9,11H2/b12-10+
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6n/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))
BDBM50228953
PNG
(5-chloro-benzofuran-2-sulfonic acid [1-(3-fluoro-2...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)c3cc4cc(Cl)ccc4o3)C2=O)c(F)c1
Show InChI InChI=1/C25H20ClFN2O6S2/c1-36(31,32)23-5-3-2-4-18(23)15-6-8-21(19(27)13-15)29-11-10-20(25(29)30)28-37(33,34)24-14-16-12-17(26)7-9-22(16)35-24/h2-9,12-14,20,28H,10-11H2,1H3
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6.20n/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))
BDBM50228951
PNG
(6-chloro-N-(1-(2-fluoro-4-(pyridin-3-yl)phenyl)-2-...)
Show SMILES Fc1cc(ccc1N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)-c1cccnc1
Show InChI InChI=1/C25H19ClFN3O3S/c26-20-6-3-17-13-21(7-4-16(17)12-20)34(32,33)29-23-9-11-30(25(23)31)24-8-5-18(14-22(24)27)19-2-1-10-28-15-19/h1-8,10,12-15,23,29H,9,11H2
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6.30n/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))
BDBM50228945
PNG
(6-chloro-N-(1-(2-fluoro-4-(pyridin-4-yl)phenyl)-2-...)
Show SMILES Fc1cc(ccc1N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)-c1ccncc1
Show InChI InChI=1/C25H19ClFN3O3S/c26-20-4-1-18-14-21(5-2-17(18)13-20)34(32,33)29-23-9-12-30(25(23)31)24-6-3-19(15-22(24)27)16-7-10-28-11-8-16/h1-8,10-11,13-15,23,29H,9,12H2
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8.90n/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))
BDBM50228933
PNG
((E)-2-(5-chlorothiophen-2-yl)-N-(1-(5-(2-(N-methyl...)
Show SMILES CN(c1ccccc1-c1ccc(nc1)N1CCC(NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)S(C)(=O)=O
Show InChI InChI=1/C23H23ClN4O5S3/c1-27(35(2,30)31)20-6-4-3-5-18(20)16-7-10-22(25-15-16)28-13-11-19(23(28)29)26-36(32,33)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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9.10n/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))
BDBM50228939
PNG
((E)-2-(6-(3-(2-(5-chlorothiophen-2-yl)vinylsulfona...)
Show SMILES CN(C)C(=O)c1ccccc1-c1ccc(nc1)N1CCC(NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O
Show InChI InChI=1/C24H23ClN4O4S2/c1-28(2)23(30)19-6-4-3-5-18(19)16-7-10-22(26-15-16)29-13-11-20(24(29)31)27-35(32,33)14-12-17-8-9-21(25)34-17/h3-10,12,14-15,20,27H,11,13H2,1-2H3/b14-12+
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11.8n/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))
BDBM50228937
PNG
((E)-2-(5-chloro-thiophen-2-yl)-ethenesulfonic acid...)
Show SMILES CS(=O)(=O)Nc1ccccc1-c1ccc(nc1)N1CCC(NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O
Show InChI InChI=1/C22H21ClN4O5S3/c1-34(29,30)25-18-5-3-2-4-17(18)15-6-9-21(24-14-15)27-12-10-19(22(27)28)26-35(31,32)13-11-16-7-8-20(23)33-16/h2-9,11,13-14,19,25-26H,10,12H2,1H3/b13-11+
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14n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by chromogenic 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))
BDBM50374266
PNG
(CHEMBL408933)
Show SMILES CN(C)Cc1ccn(n1)-c1ccc(N2CCC(NS(=O)(=O)\C=C(/C)c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1/C23H25ClFN5O3S2/c1-15(21-6-7-22(24)34-21)14-35(32,33)27-19-9-10-29(23(19)31)20-5-4-17(12-18(20)25)30-11-8-16(26-30)13-28(2)3/h4-8,11-12,14,19,27H,9-10,13H2,1-3H3/b15-14+
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14.7n/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))
BDBM50374268
PNG
(CHEMBL271711)
Show SMILES CN(C)Cc1cn(cn1)-c1ccc(N2CCC(NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1
Show InChI InChI=1/C24H23ClFN5O3S2/c1-29(2)12-17-13-30(14-27-17)18-5-6-21(19(26)11-18)31-8-7-20(24(31)32)28-36(33,34)23-9-15-3-4-16(25)10-22(15)35-23/h3-6,9-11,13-14,20,28H,7-8,12H2,1-2H3
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14.7n/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))
BDBM50228938
PNG
(6-chloro-N-(1-(2-fluoro-4-(1-methyl-1H-imidazol-4-...)
Show SMILES Cn1cnc(c1)-c1ccc(N2CCC(NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1
Show InChI InChI=1/C24H20ClFN4O3S/c1-29-13-22(27-14-29)17-4-7-23(20(26)12-17)30-9-8-21(24(30)31)28-34(32,33)19-6-3-15-10-18(25)5-2-16(15)11-19/h2-7,10-14,21,28H,8-9H2,1H3
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15.5n/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))
BDBM50374261
PNG
(CHEMBL270431)
Show SMILES FC1CCN(Cc2nccn2-c2ccc(N3CCC(NS(=O)(=O)\C=C\c4ccc(Cl)s4)C3=O)c(F)c2)C1
Show InChI InChI=1/C24H24ClF2N5O3S2/c25-22-4-2-18(36-22)7-12-37(34,35)29-20-6-10-32(24(20)33)21-3-1-17(13-19(21)27)31-11-8-28-23(31)15-30-9-5-16(26)14-30/h1-4,7-8,11-13,16,20,29H,5-6,9-10,14-15H2/b12-7+
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16.4n/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))
BDBM50374269
PNG
(CHEMBL271088)
Show SMILES CN(C)Cc1cn(cn1)-c1ccc(N2CCC(NS(=O)(=O)\C=C(/C)c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1/C23H25ClFN5O3S2/c1-15(21-6-7-22(24)34-21)13-35(32,33)27-19-8-9-30(23(19)31)20-5-4-17(10-18(20)25)29-12-16(26-14-29)11-28(2)3/h4-7,10,12-14,19,27H,8-9,11H2,1-3H3/b15-13+
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29.3n/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))
BDBM50228934
PNG
(6-chloro-N-(1-(2-fluoro-4-(furan-3-yl)phenyl)-2-ox...)
Show SMILES Fc1cc(ccc1N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)-c1ccoc1
Show InChI InChI=1/C24H18ClFN2O4S/c25-19-4-1-16-12-20(5-2-15(16)11-19)33(30,31)27-22-7-9-28(24(22)29)23-6-3-17(13-21(23)26)18-8-10-32-14-18/h1-6,8,10-14,22,27H,7,9H2
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74.6n/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))
BDBM50228948
PNG
(6-chloro-N-(2-oxo-1-(5-phenylpyridin-2-yl)pyrrolid...)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)NC1CCN(C1=O)c1ccc(cn1)-c1ccccc1
Show InChI InChI=1/C25H20ClN3O3S/c26-21-9-6-19-15-22(10-7-18(19)14-21)33(31,32)28-23-12-13-29(25(23)30)24-11-8-20(16-27-24)17-4-2-1-3-5-17/h1-11,14-16,23,28H,12-13H2
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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))
BDBM50374267
PNG
(CHEMBL270442)
Show SMILES CN(C)Cc1ccn(n1)-c1ccc(N2CCC(NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1
Show InChI InChI=1/C24H23ClFN5O3S2/c1-29(2)14-17-7-10-31(27-17)18-5-6-21(19(26)13-18)30-9-8-20(24(30)32)28-36(33,34)23-11-15-3-4-16(25)12-22(15)35-23/h3-7,10-13,20,28H,8-9,14H2,1-2H3
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125n/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))
BDBM50228929
PNG
((E)-2-(5-chlorothiophen-2-yl)-N-(1-(5-(2-isopropox...)
Show SMILES CC(C)Oc1ccccc1-c1ccc(nc1)N1CCC(NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O
Show InChI InChI=1/C24H24ClN3O4S2/c1-16(2)32-21-6-4-3-5-19(21)17-7-10-23(26-15-17)28-13-11-20(24(28)29)27-34(30,31)14-12-18-8-9-22(25)33-18/h3-10,12,14-16,20,27H,11,13H2,1-2H3/b14-12+
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180n/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))
BDBM50228943
PNG
(6-chloro-naphthalene-2-sulfonic acid [1-(3-fluoro-...)
Show SMILES Fc1cc(ccc1N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)-c1ccccc1
Show InChI InChI=1/C26H20ClFN2O3S/c27-21-9-6-19-15-22(10-7-18(19)14-21)34(32,33)29-24-12-13-30(26(24)31)25-11-8-20(16-23(25)28)17-4-2-1-3-5-17/h1-11,14-16,24,29H,12-13H2
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215n/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))
BDBM50374271
PNG
(CHEMBL404758)
Show SMILES CN(C)Cc1ccnn1-c1ccc(N2CCC(NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1
Show InChI InChI=1/C24H23ClFN5O3S2/c1-29(2)14-18-7-9-27-31(18)17-5-6-21(19(26)13-17)30-10-8-20(24(30)32)28-36(33,34)23-11-15-3-4-16(25)12-22(15)35-23/h3-7,9,11-13,20,28H,8,10,14H2,1-2H3
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895n/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))
BDBM50228942
PNG
((E)-N-(1-(5-(2-tert-butylphenyl)pyridin-2-yl)-2-ox...)
Show SMILES CC(C)(C)c1ccccc1-c1ccc(nc1)N1CCC(NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O
Show InChI InChI=1/C25H26ClN3O3S2/c1-25(2,3)20-7-5-4-6-19(20)17-8-11-23(27-16-17)29-14-12-21(24(29)30)28-34(31,32)15-13-18-9-10-22(26)33-18/h4-11,13,15-16,21,28H,12,14H2,1-3H3/b15-13+
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2.33E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by chromogenic 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