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PubMed code 18053714

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor 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))
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))
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))
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))
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))
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))
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))
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))
BDBM50374275
PNG
(CHEMBL270178)
Show SMILES CN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)c3ncc(s3)-c3ccc(Cl)s3)C2=O)c(F)c1 |w:16.17|
Show InChI InChI=1S/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))
BDBM50374276
PNG
(CHEMBL404346)
Show SMILES CN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)CCc3ccc(Cl)s3)C2=O)c(F)c1 |w:16.17|
Show InChI InChI=1S/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))
BDBM50374273
PNG
(CHEMBL277959)
Show SMILES CN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)c3cc4cc(Cl)ccc4s3)C2=O)c(F)c1 |w:16.17|
Show InChI InChI=1S/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 |w:16.17|
Show InChI InChI=1S/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))
BDBM50374268
PNG
(CHEMBL271711)
Show SMILES CN(C)Cc1cn(cn1)-c1ccc(N2CCC(NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1 |w:16.17|
Show InChI InChI=1S/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))
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 |w:16.17|
Show InChI InChI=1S/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))
BDBM50374261
PNG
(CHEMBL270431)
Show SMILES FC1CCN(Cc2nccn2-c2ccc(N3CCC(NS(=O)(=O)\C=C\c4ccc(Cl)s4)C3=O)c(F)c2)C1 |w:18.19,1.0|
Show InChI InChI=1S/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 |w:16.17|
Show InChI InChI=1S/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))
BDBM50374267
PNG
(CHEMBL270442)
Show SMILES CN(C)Cc1ccn(n1)-c1ccc(N2CCC(NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1 |w:16.17|
Show InChI InChI=1S/C24H23ClFN5O3S2/c1-29(2)14-17-7-10-31(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
PDB
MMDB

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CHEMBL
PC cid
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Article
PubMed
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))
BDBM50374271
PNG
(CHEMBL404758)
Show SMILES CN(C)Cc1ccnn1-c1ccc(N2CCC(NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1 |w:16.17|
Show InChI InChI=1S/C24H23ClFN5O3S2/c1-29(2)14-18-7-9-27-31(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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
* indicates data uncertainty>20%