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PubMed code 10937736

Compile data set for download or QSAR
Found 35 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))
BDBM12594
PNG
(4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXO...)
Show SMILES NC(=N)c1ccc(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc1
Show InChI InChI=1S/C20H19ClN4O3S2/c21-16-6-5-15-9-19(29-17(15)10-16)30(27,28)25-8-7-24(18(26)12-25)11-13-1-3-14(4-2-13)20(22)23/h1-6,9-10H,7-8,11-12H2,(H3,22,23)
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PDB
PubMed
1.30n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50090593
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Cn1cncc1CCNC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C20H22ClN5O4S2/c1-24-13-22-10-16(24)4-5-23-18(27)11-25-6-7-26(12-19(25)28)32(29,30)20-8-14-2-3-15(21)9-17(14)31-20/h2-3,8-10,13H,4-7,11-12H2,1H3,(H,23,27)
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12n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090592
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCc2cnc[nH]2)C(=O)C1
Show InChI InChI=1S/C19H20ClN5O4S2/c20-14-2-1-13-7-19(30-16(13)8-14)31(28,29)25-6-5-24(18(27)11-25)10-17(26)22-4-3-15-9-21-12-23-15/h1-2,7-9,12H,3-6,10-11H2,(H,21,23)(H,22,26)
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21n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090605
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCc2ccncc2)C(=O)C1
Show InChI InChI=1S/C21H21ClN4O4S2/c22-17-2-1-16-11-21(31-18(16)12-17)32(29,30)26-10-9-25(20(28)14-26)13-19(27)24-8-5-15-3-6-23-7-4-15/h1-4,6-7,11-12H,5,8-10,13-14H2,(H,24,27)
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59n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090600
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)Nc2ccncn2)C(=O)C1
Show InChI InChI=1S/C18H16ClN5O4S2/c19-13-2-1-12-7-18(29-14(12)8-13)30(27,28)24-6-5-23(17(26)10-24)9-16(25)22-15-3-4-20-11-21-15/h1-4,7-8,11H,5-6,9-10H2,(H,20,21,22,25)
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97n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090595
PNG
(CHEMBL47654 | N-[2-(2-Amino-pyridin-4-yl)-ethyl]-2...)
Show SMILES Nc1cc(CCNC(=O)CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)ccn1
Show InChI InChI=1S/C21H22ClN5O4S2/c22-16-2-1-15-10-21(32-17(15)11-16)33(30,31)27-8-7-26(20(29)13-27)12-19(28)25-6-4-14-3-5-24-18(23)9-14/h1-3,5,9-11H,4,6-8,12-13H2,(H2,23,24)(H,25,28)
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140n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090597
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCc2ccccn2)C(=O)C1
Show InChI InChI=1S/C21H21ClN4O4S2/c22-16-5-4-15-11-21(31-18(15)12-16)32(29,30)26-10-9-25(20(28)14-26)13-19(27)24-8-6-17-3-1-2-7-23-17/h1-5,7,11-12H,6,8-10,13-14H2,(H,24,27)
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140n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090604
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCc2cscn2)C(=O)C1
Show InChI InChI=1S/C19H19ClN4O4S3/c20-14-2-1-13-7-19(30-16(13)8-14)31(27,28)24-6-5-23(18(26)10-24)9-17(25)21-4-3-15-11-29-12-22-15/h1-2,7-8,11-12H,3-6,9-10H2,(H,21,25)
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160n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090596
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)Nc2ccncc2)C(=O)C1
Show InChI InChI=1S/C19H17ClN4O4S2/c20-14-2-1-13-9-19(29-16(13)10-14)30(27,28)24-8-7-23(18(26)12-24)11-17(25)22-15-3-5-21-6-4-15/h1-6,9-10H,7-8,11-12H2,(H,21,22,25)
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170n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090613
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCc2cccnc2)C(=O)C1
Show InChI InChI=1S/C21H21ClN4O4S2/c22-17-4-3-16-10-21(31-18(16)11-17)32(29,30)26-9-8-25(20(28)14-26)13-19(27)24-7-5-15-2-1-6-23-12-15/h1-4,6,10-12H,5,7-9,13-14H2,(H,24,27)
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250n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090615
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Cc1ncsc1CCNC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C20H21ClN4O4S3/c1-13-16(30-12-23-13)4-5-22-18(26)10-24-6-7-25(11-19(24)27)32(28,29)20-8-14-2-3-15(21)9-17(14)31-20/h2-3,8-9,12H,4-7,10-11H2,1H3,(H,22,26)
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270n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090594
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Cc1nc[nH]c1CCNC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C20H22ClN5O4S2/c1-13-16(24-12-23-13)4-5-22-18(27)10-25-6-7-26(11-19(25)28)32(29,30)20-8-14-2-3-15(21)9-17(14)31-20/h2-3,8-9,12H,4-7,10-11H2,1H3,(H,22,27)(H,23,24)
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340n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090609
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Cn1cnc(CCNC(=O)CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)c1
Show InChI InChI=1S/C20H22ClN5O4S2/c1-24-10-16(23-13-24)4-5-22-18(27)11-25-6-7-26(12-19(25)28)32(29,30)20-8-14-2-3-15(21)9-17(14)31-20/h2-3,8-10,13H,4-7,11-12H2,1H3,(H,22,27)
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430n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090603
PNG
(CHEMBL295515 | N-[2-(2-Amino-thiazol-4-yl)-ethyl]-...)
Show SMILES Nc1nc(CCNC(=O)CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cs1
Show InChI InChI=1S/C19H20ClN5O4S3/c20-13-2-1-12-7-18(31-15(12)8-13)32(28,29)25-6-5-24(17(27)10-25)9-16(26)22-4-3-14-11-30-19(21)23-14/h1-2,7-8,11H,3-6,9-10H2,(H2,21,23)(H,22,26)
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620n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090611
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCc2c[nH]c(=S)[nH]2)C(=O)C1
Show InChI InChI=1S/C19H20ClN5O4S3/c20-13-2-1-12-7-18(31-15(12)8-13)32(28,29)25-6-5-24(17(27)11-25)10-16(26)21-4-3-14-9-22-19(30)23-14/h1-2,7-9H,3-6,10-11H2,(H,21,26)(H2,22,23,30)
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620n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090602
PNG
((R)-2-{2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl...)
Show SMILES COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C21H22ClN5O6S2/c1-33-21(30)16(8-15-9-23-12-24-15)25-18(28)10-26-4-5-27(11-19(26)29)35(31,32)20-6-13-2-3-14(22)7-17(13)34-20/h2-3,6-7,9,12,16H,4-5,8,10-11H2,1H3,(H,23,24)(H,25,28)/t16-/m1/s1
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>1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090606
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCCn2ccnc2)C(=O)C1
Show InChI InChI=1S/C20H22ClN5O4S2/c21-16-3-2-15-10-20(31-17(15)11-16)32(29,30)26-9-8-25(19(28)13-26)12-18(27)23-4-1-6-24-7-5-22-14-24/h2-3,5,7,10-11,14H,1,4,6,8-9,12-13H2,(H,23,27)
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>1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090598
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCc2cccnc2)C(=O)C1
Show InChI InChI=1S/C20H19ClN4O4S2/c21-16-4-3-15-8-20(30-17(15)9-16)31(28,29)25-7-6-24(19(27)13-25)12-18(26)23-11-14-2-1-5-22-10-14/h1-5,8-10H,6-7,11-13H2,(H,23,26)
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>1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090601
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2)C(=O)C1
Show InChI InChI=1S/C20H18ClN3O4S2/c21-15-7-6-14-10-20(29-17(14)11-15)30(27,28)24-9-8-23(19(26)13-24)12-18(25)22-16-4-2-1-3-5-16/h1-7,10-11H,8-9,12-13H2,(H,22,25)
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>1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090608
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Cn1cccc1CCNC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C21H23ClN4O4S2/c1-24-8-2-3-17(24)6-7-23-19(27)13-25-9-10-26(14-20(25)28)32(29,30)21-11-15-4-5-16(22)12-18(15)31-21/h2-5,8,11-12H,6-7,9-10,13-14H2,1H3,(H,23,27)
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>1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090612
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NC2CCNCC2)C(=O)C1
Show InChI InChI=1S/C19H23ClN4O4S2/c20-14-2-1-13-9-19(29-16(13)10-14)30(27,28)24-8-7-23(18(26)12-24)11-17(25)22-15-3-5-21-6-4-15/h1-2,9-10,15,21H,3-8,11-12H2,(H,22,25)
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090614
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCn2ccnc2)C(=O)C1
Show InChI InChI=1S/C19H20ClN5O4S2/c20-15-2-1-14-9-19(30-16(14)10-15)31(28,29)25-8-7-24(18(27)12-25)11-17(26)22-4-6-23-5-3-21-13-23/h1-3,5,9-10,13H,4,6-8,11-12H2,(H,22,26)
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090610
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)Nc2cccnc2)C(=O)C1
Show InChI InChI=1S/C19H17ClN4O4S2/c20-14-4-3-13-8-19(29-16(13)9-14)30(27,28)24-7-6-23(18(26)12-24)11-17(25)22-15-2-1-5-21-10-15/h1-5,8-10H,6-7,11-12H2,(H,22,25)
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090599
PNG
((S)-2-{2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl...)
Show SMILES COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C21H22ClN5O6S2/c1-33-21(30)16(8-15-9-23-12-24-15)25-18(28)10-26-4-5-27(11-19(26)29)35(31,32)20-6-13-2-3-14(22)7-17(13)34-20/h2-3,6-7,9,12,16H,4-5,8,10-11H2,1H3,(H,23,24)(H,25,28)/t16-/m0/s1
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090607
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES CN(C(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1)c1ccncc1
Show InChI InChI=1S/C20H19ClN4O4S2/c1-23(16-4-6-22-7-5-16)18(26)12-24-8-9-25(13-19(24)27)31(28,29)20-10-14-2-3-15(21)11-17(14)30-20/h2-7,10-11H,8-9,12-13H2,1H3
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>1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50090593
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Cn1cncc1CCNC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C20H22ClN5O4S2/c1-24-13-22-10-16(24)4-5-23-18(27)11-25-6-7-26(12-19(25)28)32(29,30)20-8-14-2-3-15(21)9-17(14)31-20/h2-3,8-10,13H,4-7,11-12H2,1H3,(H,23,27)
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>2.90E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against trypsin.


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50090592
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCc2cnc[nH]2)C(=O)C1
Show InChI InChI=1S/C19H20ClN5O4S2/c20-14-2-1-13-7-19(30-16(13)8-14)31(28,29)25-6-5-24(18(27)11-25)10-17(26)22-4-3-15-9-21-12-23-15/h1-2,7-9,12H,3-6,10-11H2,(H,21,23)(H,22,26)
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against trypsin


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50090593
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Cn1cncc1CCNC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C20H22ClN5O4S2/c1-24-13-22-10-16(24)4-5-23-18(27)11-25-6-7-26(12-19(25)28)32(29,30)20-8-14-2-3-15(21)9-17(14)31-20/h2-3,8-10,13H,4-7,11-12H2,1H3,(H,23,27)
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>4.00E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against thrombin


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50090592
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCc2cnc[nH]2)C(=O)C1
Show InChI InChI=1S/C19H20ClN5O4S2/c20-14-2-1-13-7-19(30-16(13)8-14)31(28,29)25-6-5-24(18(27)11-25)10-17(26)22-4-3-15-9-21-12-23-15/h1-2,7-9,12H,3-6,10-11H2,(H,21,23)(H,22,26)
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>4.00E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against thrombin


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50090592
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCc2cnc[nH]2)C(=O)C1
Show InChI InChI=1S/C19H20ClN5O4S2/c20-14-2-1-13-7-19(30-16(13)8-14)31(28,29)25-6-5-24(18(27)11-25)10-17(26)22-4-3-15-9-21-12-23-15/h1-2,7-9,12H,3-6,10-11H2,(H,21,23)(H,22,26)
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>7.30E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against plasmin


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50090593
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Cn1cncc1CCNC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C20H22ClN5O4S2/c1-24-13-22-10-16(24)4-5-23-18(27)11-25-6-7-26(12-19(25)28)32(29,30)20-8-14-2-3-15(21)9-17(14)31-20/h2-3,8-10,13H,4-7,11-12H2,1H3,(H,23,27)
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against plasmin


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50090592
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCc2cnc[nH]2)C(=O)C1
Show InChI InChI=1S/C19H20ClN5O4S2/c20-14-2-1-13-7-19(30-16(13)8-14)31(28,29)25-6-5-24(18(27)11-25)10-17(26)22-4-3-15-9-21-12-23-15/h1-2,7-9,12H,3-6,10-11H2,(H,21,23)(H,22,26)
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>8.70E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against t-PA


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50090593
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Cn1cncc1CCNC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C20H22ClN5O4S2/c1-24-13-22-10-16(24)4-5-23-18(27)11-25-6-7-26(12-19(25)28)32(29,30)20-8-14-2-3-15(21)9-17(14)31-20/h2-3,8-10,13H,4-7,11-12H2,1H3,(H,23,27)
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against t-PA.


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50090592
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCc2cnc[nH]2)C(=O)C1
Show InChI InChI=1S/C19H20ClN5O4S2/c20-14-2-1-13-7-19(30-16(13)8-14)31(28,29)25-6-5-24(18(27)11-25)10-17(26)22-4-3-15-9-21-12-23-15/h1-2,7-9,12H,3-6,10-11H2,(H,21,23)(H,22,26)
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>1.80E+4n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Activated protein C


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50090593
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Cn1cncc1CCNC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C20H22ClN5O4S2/c1-24-13-22-10-16(24)4-5-23-18(27)11-25-6-7-26(12-19(25)28)32(29,30)20-8-14-2-3-15(21)9-17(14)31-20/h2-3,8-10,13H,4-7,11-12H2,1H3,(H,23,27)
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>1.80E+4n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Activated protein C


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%