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Compile Data Set for Download or QSAR

Found 177 hits Enz. Inhib. hit(s) with all data for entry = 50041067   
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))
BDBM17226
PNG
(3-chloro-N-{2-[(4-chlorophenyl)carbamoyl]-4-methyl...)
Show SMILES Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H16Cl2N2O2S/c1-13-6-11-18(17(12-13)22(28)26-15-9-7-14(24)8-10-15)27-23(29)21-20(25)16-4-2-3-5-19(16)30-21/h2-12H,1H3,(H,26,28)(H,27,29)
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0.320n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404108
PNG
(CHEMBL147645)
Show SMILES Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C23H16BrClN2O2S/c1-13-6-11-18(17(12-13)22(28)26-15-9-7-14(24)8-10-15)27-23(29)21-20(25)16-4-2-3-5-19(16)30-21/h2-12H,1H3,(H,26,28)(H,27,29)
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0.460n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17227
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(sc2ccccc12)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H13Cl3N2O2S/c23-12-5-8-14(9-6-12)26-21(28)16-11-13(24)7-10-17(16)27-22(29)20-19(25)15-3-1-2-4-18(15)30-20/h1-11H,(H,26,28)(H,27,29)
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0.600n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404133
PNG
(CHEMBL356112)
Show SMILES Cc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl
Show InChI InChI=1S/C23H15Cl3N2O2S/c1-12-10-14(25)11-17(22(29)27-15-8-6-13(24)7-9-15)20(12)28-23(30)21-19(26)16-4-2-3-5-18(16)31-21/h2-11H,1H3,(H,27,29)(H,28,30)
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1.80n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404122
PNG
(CHEMBL146079)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl
Show InChI InChI=1S/C23H15Cl3N2O3S/c1-31-17-11-13(25)10-16(22(29)27-14-8-6-12(24)7-9-14)20(17)28-23(30)21-19(26)15-4-2-3-5-18(15)32-21/h2-11H,1H3,(H,27,29)(H,28,30)
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2.20n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404121
PNG
(CHEMBL146207)
Show SMILES Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C22H15Cl2N3O2S/c1-12-6-8-16(15(10-12)21(28)27-18-9-7-13(23)11-25-18)26-22(29)20-19(24)14-4-2-3-5-17(14)30-20/h2-11H,1H3,(H,26,29)(H,25,27,28)
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2.30n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404146
PNG
(CHEMBL357709)
Show SMILES Oc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl
Show InChI InChI=1S/C22H13Cl3N2O3S/c23-11-5-7-13(8-6-11)26-21(29)15-9-12(24)10-16(28)19(15)27-22(30)20-18(25)14-3-1-2-4-17(14)31-20/h1-10,28H,(H,26,29)(H,27,30)
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3.70n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404127
PNG
(CHEMBL149756)
Show SMILES Fc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H13Cl2FN2O2S/c23-12-5-8-14(9-6-12)26-21(28)16-11-13(25)7-10-17(16)27-22(29)20-19(24)15-3-1-2-4-18(15)30-20/h1-11H,(H,26,28)(H,27,29)
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5n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404138
PNG
(CHEMBL149764)
Show SMILES COc1c(sc2ccccc12)C(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C24H19ClN2O3S/c1-14-7-12-19(18(13-14)23(28)26-16-10-8-15(25)9-11-16)27-24(29)22-21(30-2)17-5-3-4-6-20(17)31-22/h3-13H,1-2H3,(H,26,28)(H,27,29)
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5.90n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404115
PNG
(CHEMBL150063)
Show SMILES Clc1c(sc2ccccc12)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H14Cl2N2O2S/c23-13-9-11-14(12-10-13)25-21(27)15-5-1-3-7-17(15)26-22(28)20-19(24)16-6-2-4-8-18(16)29-20/h1-12H,(H,25,27)(H,26,28)
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7n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404144
PNG
(CHEMBL145839)
Show SMILES Fc1cc(NC(=O)c2sc3ccccc3c2Cl)c(cc1Cl)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H12Cl3FN2O2S/c23-11-5-7-12(8-6-11)27-21(29)14-9-15(24)16(26)10-17(14)28-22(30)20-19(25)13-3-1-2-4-18(13)31-20/h1-10H,(H,27,29)(H,28,30)
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7n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404141
PNG
(CHEMBL149393)
Show SMILES Cc1ccc(NC(=O)c2cc(C)ccc2NC(=O)c2sc3ccccc3c2Cl)cc1
Show InChI InChI=1S/C24H19ClN2O2S/c1-14-7-10-16(11-8-14)26-23(28)18-13-15(2)9-12-19(18)27-24(29)22-21(25)17-5-3-4-6-20(17)30-22/h3-13H,1-2H3,(H,26,28)(H,27,29)
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7.10n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404117
PNG
(CHEMBL146641)
Show SMILES Cc1ccc(C(=O)Nc2ccc(Cl)cc2)c(NC(=O)c2sc3ccccc3c2Cl)c1
Show InChI InChI=1S/C23H16Cl2N2O2S/c1-13-6-11-16(22(28)26-15-9-7-14(24)8-10-15)18(12-13)27-23(29)21-20(25)17-4-2-3-5-19(17)30-21/h2-12H,1H3,(H,26,28)(H,27,29)
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7.20n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17084
PNG
(3-chloro-N-{2-[(4-fluorophenyl)carbamoyl]-4-methyl...)
Show SMILES Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C23H16ClFN2O2S/c1-13-6-11-18(17(12-13)22(28)26-15-9-7-14(25)8-10-15)27-23(29)21-20(24)16-4-2-3-5-19(16)30-21/h2-12H,1H3,(H,26,28)(H,27,29)
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11n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404152
PNG
(CHEMBL148687)
Show SMILES Cc1cc(NC(=O)c2sc3ccccc3c2Cl)c(cc1Cl)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H15Cl3N2O2S/c1-12-10-18(28-23(30)21-20(26)15-4-2-3-5-19(15)31-21)16(11-17(12)25)22(29)27-14-8-6-13(24)7-9-14/h2-11H,1H3,(H,27,29)(H,28,30)
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11n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404147
PNG
(CHEMBL422844)
Show SMILES Cc1ccc(NC(=O)c2scc(c2Cl)S(C)(=O)=O)c(c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H16Cl2N2O4S2/c1-11-3-8-15(14(9-11)19(25)23-13-6-4-12(21)5-7-13)24-20(26)18-17(22)16(10-29-18)30(2,27)28/h3-10H,1-2H3,(H,23,25)(H,24,26)
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14n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404119
PNG
(CHEMBL149787)
Show SMILES Fc1ccc(C(=O)Nc2ccc(Cl)cc2)c(NC(=O)c2sc3ccccc3c2Cl)c1
Show InChI InChI=1S/C22H13Cl2FN2O2S/c23-12-5-8-14(9-6-12)26-21(28)15-10-7-13(25)11-17(15)27-22(29)20-19(24)16-3-1-2-4-18(16)30-20/h1-11H,(H,26,28)(H,27,29)
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15n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404111
PNG
(CHEMBL345940)
Show SMILES Nc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H15Cl2N3O2S/c23-12-5-8-14(9-6-12)26-21(28)16-11-13(25)7-10-17(16)27-22(29)20-19(24)15-3-1-2-4-18(15)30-20/h1-11H,25H2,(H,26,28)(H,27,29)
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16n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404104
PNG
(CHEMBL53011)
Show SMILES COc1ccc(NC(=O)c2cc(C)ccc2NC(=O)c2sc3ccccc3c2Cl)cc1
Show InChI InChI=1S/C24H19ClN2O3S/c1-14-7-12-19(18(13-14)23(28)26-15-8-10-16(30-2)11-9-15)27-24(29)22-21(25)17-5-3-4-6-20(17)31-22/h3-13H,1-2H3,(H,26,28)(H,27,29)
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16n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404137
PNG
(CHEMBL146149)
Show SMILES Oc1cccc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl
Show InChI InChI=1S/C22H14Cl2N2O3S/c23-12-8-10-13(11-9-12)25-21(28)15-5-3-6-16(27)19(15)26-22(29)20-18(24)14-4-1-2-7-17(14)30-20/h1-11,27H,(H,25,28)(H,26,29)
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18n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404134
PNG
(CHEMBL358275)
Show SMILES Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H17ClN2O2S/c1-14-11-12-18(17(13-14)22(27)25-15-7-3-2-4-8-15)26-23(28)21-20(24)16-9-5-6-10-19(16)29-21/h2-13H,1H3,(H,25,27)(H,26,28)
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19n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404105
PNG
(CHEMBL357971)
Show SMILES COc1cccc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl
Show InChI InChI=1S/C23H16Cl2N2O3S/c1-30-17-7-4-6-16(22(28)26-14-11-9-13(24)10-12-14)20(17)27-23(29)21-19(25)15-5-2-3-8-18(15)31-21/h2-12H,1H3,(H,26,28)(H,27,29)
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22n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404139
PNG
(CHEMBL147573)
Show SMILES CCOC(=O)COc1cccc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl
Show InChI InChI=1S/C26H20Cl2N2O5S/c1-2-34-21(31)14-35-19-8-5-7-18(25(32)29-16-12-10-15(27)11-13-16)23(19)30-26(33)24-22(28)17-6-3-4-9-20(17)36-24/h3-13H,2,14H2,1H3,(H,29,32)(H,30,33)
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22n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404129
PNG
(CHEMBL342806)
Show SMILES Clc1c(sc2ccccc12)C(=O)Nc1c(Cl)cccc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H13Cl3N2O2S/c23-12-8-10-13(11-9-12)26-21(28)15-5-3-6-16(24)19(15)27-22(29)20-18(25)14-4-1-2-7-17(14)30-20/h1-11H,(H,26,28)(H,27,29)
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24n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404142
PNG
(CHEMBL147518)
Show SMILES Cc1c(sc2ccccc12)C(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C24H19FN2O2S/c1-14-7-12-20(19(13-14)23(28)26-17-10-8-16(25)9-11-17)27-24(29)22-15(2)18-5-3-4-6-21(18)30-22/h3-13H,1-2H3,(H,26,28)(H,27,29)
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25n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404102
PNG
(CHEMBL359219)
Show SMILES Fc1cccc(NC(=O)c2sc3ccccc3c2Cl)c1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H13Cl2FN2O2S/c23-12-8-10-13(11-9-12)26-21(28)18-15(25)5-3-6-16(18)27-22(29)20-19(24)14-4-1-2-7-17(14)30-20/h1-11H,(H,26,28)(H,27,29)
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26n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404110
PNG
(CHEMBL146184)
Show SMILES Clc1c(sc2ccccc12)C(=O)Nc1cc(Cl)ccc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H13Cl3N2O2S/c23-12-5-8-14(9-6-12)26-21(28)15-10-7-13(24)11-17(15)27-22(29)20-19(25)16-3-1-2-4-18(16)30-20/h1-11H,(H,26,28)(H,27,29)
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26n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404126
PNG
(CHEMBL147982)
Show SMILES Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccccn1
Show InChI InChI=1S/C22H16ClN3O2S/c1-13-9-10-16(15(12-13)21(27)26-18-8-4-5-11-24-18)25-22(28)20-19(23)14-6-2-3-7-17(14)29-20/h2-12H,1H3,(H,25,28)(H,24,26,27)
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30n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404107
PNG
(CHEMBL148458)
Show SMILES COc1c(Br)csc1C(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H16BrClN2O3S/c1-11-3-8-16(24-20(26)18-17(27-2)15(21)10-28-18)14(9-11)19(25)23-13-6-4-12(22)5-7-13/h3-10H,1-2H3,(H,23,25)(H,24,26)
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54n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404100
PNG
(CHEMBL358135)
Show SMILES Cc1cccc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl
Show InChI InChI=1S/C23H16Cl2N2O2S/c1-13-5-4-7-17(22(28)26-15-11-9-14(24)10-12-15)20(13)27-23(29)21-19(25)16-6-2-3-8-18(16)30-21/h2-12H,1H3,(H,26,28)(H,27,29)
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58n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404151
PNG
(CHEMBL146365)
Show SMILES Oc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H14Cl2N2O3S/c23-12-5-7-13(8-6-12)25-21(28)16-11-14(27)9-10-17(16)26-22(29)20-19(24)15-3-1-2-4-18(15)30-20/h1-11,27H,(H,25,28)(H,26,29)
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73n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404132
PNG
(CHEMBL358610)
Show SMILES Cc1ccc(NC(=O)c2ccc3ccccc3c2)c(c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C25H19ClN2O2/c1-16-6-13-23(22(14-16)25(30)27-21-11-9-20(26)10-12-21)28-24(29)19-8-7-17-4-2-3-5-18(17)15-19/h2-15H,1H3,(H,27,30)(H,28,29)
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78n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404136
PNG
(CHEMBL149657)
Show SMILES FC(F)(F)c1ccc(C(=O)Nc2ccc(Cl)cc2)c(NC(=O)c2sc3ccccc3c2Cl)c1
Show InChI InChI=1S/C23H13Cl2F3N2O2S/c24-13-6-8-14(9-7-13)29-21(31)15-10-5-12(23(26,27)28)11-17(15)30-22(32)20-19(25)16-3-1-2-4-18(16)33-20/h1-11H,(H,29,31)(H,30,32)
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100n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404130
PNG
(CHEMBL149875)
Show SMILES Cc1ccc(NC(=O)c2sccc2Cl)c(c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C19H14Cl2N2O2S/c1-11-2-7-16(23-19(25)17-15(21)8-9-26-17)14(10-11)18(24)22-13-5-3-12(20)4-6-13/h2-10H,1H3,(H,22,24)(H,23,25)
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130n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404109
PNG
(CHEMBL148917)
Show SMILES Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C24H16ClN3O2S/c1-14-6-11-19(18(12-14)23(29)27-16-9-7-15(13-26)8-10-16)28-24(30)22-21(25)17-4-2-3-5-20(17)31-22/h2-12H,1H3,(H,27,29)(H,28,30)
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150n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404106
PNG
(CHEMBL148791)
Show SMILES COc1ccsc1C(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClN2O3S/c1-12-3-8-16(23-20(25)18-17(26-2)9-10-27-18)15(11-12)19(24)22-14-6-4-13(21)5-7-14/h3-11H,1-2H3,(H,22,24)(H,23,25)
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160n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404114
PNG
(CHEMBL146592)
Show SMILES Cc1nc(C)c(s1)C(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H18ClN3O2S/c1-11-4-9-17(24-20(26)18-12(2)22-13(3)27-18)16(10-11)19(25)23-15-7-5-14(21)6-8-15/h4-10H,1-3H3,(H,23,25)(H,24,26)
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210n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404140
PNG
(CHEMBL342733)
Show SMILES Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C22H16ClN3O2S/c1-13-8-9-17(16(11-13)21(27)25-14-5-4-10-24-12-14)26-22(28)20-19(23)15-6-2-3-7-18(15)29-20/h2-12H,1H3,(H,25,27)(H,26,28)
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210n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404113
PNG
(CHEMBL342551)
Show SMILES Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C23H16Cl2N2O2S/c1-13-9-10-18(17(11-13)22(28)26-15-6-4-5-14(24)12-15)27-23(29)21-20(25)16-7-2-3-8-19(16)30-21/h2-12H,1H3,(H,26,28)(H,27,29)
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260n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404112
PNG
(CHEMBL149006)
Show SMILES Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(N)cc1
Show InChI InChI=1S/C23H18ClN3O2S/c1-13-6-11-18(17(12-13)22(28)26-15-9-7-14(25)8-10-15)27-23(29)21-20(24)16-4-2-3-5-19(16)30-21/h2-12H,25H2,1H3,(H,26,28)(H,27,29)
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280n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404135
PNG
(CHEMBL146511)
Show SMILES Cc1ccc(NC(=O)c2sccc2Cl)c(c1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H14ClFN2O2S/c1-11-2-7-16(23-19(25)17-15(20)8-9-26-17)14(10-11)18(24)22-13-5-3-12(21)4-6-13/h2-10H,1H3,(H,22,24)(H,23,25)
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390n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404103
PNG
(CHEMBL422134)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C27H24Cl2N4O2S/c1-32-12-14-33(15-13-32)19-10-11-22(21(16-19)26(34)30-18-8-6-17(28)7-9-18)31-27(35)25-24(29)20-4-2-3-5-23(20)36-25/h2-11,16H,12-15H2,1H3,(H,30,34)(H,31,35)
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470n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404120
PNG
(CHEMBL146609)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H13Cl2N3O4S/c23-12-5-7-13(8-6-12)25-21(28)16-11-14(27(30)31)9-10-17(16)26-22(29)20-19(24)15-3-1-2-4-18(15)32-20/h1-11H,(H,25,28)(H,26,29)
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>500n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404150
PNG
(CHEMBL345769)
Show SMILES Cc1ccc(NC(=O)c2cc3ccccc3s2)c(c1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C23H17FN2O2S/c1-14-6-11-19(18(12-14)22(27)25-17-9-7-16(24)8-10-17)26-23(28)21-13-15-4-2-3-5-20(15)29-21/h2-13H,1H3,(H,25,27)(H,26,28)
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590n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404148
PNG
(CHEMBL347983)
Show SMILES Cc1ccc(NC(=O)c2ccccc2Br)c(c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H16BrClN2O2/c1-13-6-11-19(25-20(26)16-4-2-3-5-18(16)22)17(12-13)21(27)24-15-9-7-14(23)8-10-15/h2-12H,1H3,(H,24,27)(H,25,26)
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960n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404099
PNG
(CHEMBL148036)
Show SMILES Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(CN)cc1
Show InChI InChI=1S/C24H20ClN3O2S/c1-14-6-11-19(18(12-14)23(29)27-16-9-7-15(13-26)8-10-16)28-24(30)22-21(25)17-4-2-3-5-20(17)31-22/h2-12H,13,26H2,1H3,(H,27,29)(H,28,30)
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1.40E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404125
PNG
(CHEMBL149718)
Show SMILES Cc1ccc(NC(=O)c2sc3ccccc3c2O)c(c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H17ClN2O3S/c1-13-6-11-18(17(12-13)22(28)25-15-9-7-14(24)8-10-15)26-23(29)21-20(27)16-4-2-3-5-19(16)30-21/h2-12,27H,1H3,(H,25,28)(H,26,29)
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4.40E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404124
PNG
(CHEMBL150216)
Show SMILES Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H17ClN2O4S/c1-13-6-11-18(27-23(29)21-20(25)16-4-2-3-5-19(16)32-21)17(12-13)22(28)26-15-9-7-14(8-10-15)24(30)31/h2-12H,1H3,(H,26,28)(H,27,29)(H,30,31)
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4.70E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404097
PNG
(CHEMBL342964)
Show SMILES Clc1c(sc2ccccc12)C(=O)Nc1ccc(cc1C(=O)Nc1ccc(Cl)cc1)N1CCCC1
Show InChI InChI=1S/C26H21Cl2N3O2S/c27-16-7-9-17(10-8-16)29-25(32)20-15-18(31-13-3-4-14-31)11-12-21(20)30-26(33)24-23(28)19-5-1-2-6-22(19)34-24/h1-2,5-12,15H,3-4,13-14H2,(H,29,32)(H,30,33)
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>5.00E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404098
PNG
(CHEMBL146160)
Show SMILES Clc1c(sc2ccccc12)C(=O)Nc1cccc(Cl)c1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H13Cl3N2O2S/c23-12-8-10-13(11-9-12)26-21(28)18-15(24)5-3-6-16(18)27-22(29)20-19(25)14-4-1-2-7-17(14)30-20/h1-11H,(H,26,28)(H,27,29)
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>5.00E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
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