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15 molecules are shown

Wt: 416.4
BDBM50307317
Wt: 372.4
BDBM50307321
Wt: 312.3
BDBM50307334
Wt: 358.4
BDBM50307335
Wt: 358.4
BDBM50307336
Wt: 354.4
BDBM50307337
Wt: 376.4
BDBM50307339
Wt: 392.9
BDBM50307340
Wt: 392.9
BDBM50307341
Wt: 388.4
BDBM50307342
Wt: 388.4
BDBM50307343
Wt: 372.4
BDBM50307344
Wt: 388.4
BDBM50307348
Wt: 392.9
BDBM50307350
Wt: 388.4
BDBM50307351

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50307317,50307321,50307334,50307335,50307336,50307337,50307339,50307340,50307341,50307342,50307343,50307344,50307348,50307350,50307351   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor IX and X


(Homo sapiens (human))
BDBM50307343
PNG
(6-(4-Methoxy-benzyloxy)-benzo[b]thiophene-2-carbox...)
Show SMILES COc1ccc(COc2cccc(c2)-c2ccc3sc(cc3c2)C(N)=N)cc1
Show InChI InChI=1S/C23H20N2O2S/c1-26-19-8-5-15(6-9-19)14-27-20-4-2-3-16(12-20)17-7-10-21-18(11-17)13-22(28-21)23(24)25/h2-13H,14H2,1H3,(H3,24,25)
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250n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Coagulation factor IX and X


(Homo sapiens (human))
BDBM50307342
PNG
(6-(3-Methoxy-benzyloxy)-benzo[b]thiophene-2-carbox...)
Show SMILES COc1cccc(COc2cccc(c2)-c2ccc3sc(cc3c2)C(N)=N)c1
Show InChI InChI=1S/C23H20N2O2S/c1-26-19-6-2-4-15(10-19)14-27-20-7-3-5-16(12-20)17-8-9-21-18(11-17)13-22(28-21)23(24)25/h2-13H,14H2,1H3,(H3,24,25)
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450n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Coagulation factor IX and X


(Homo sapiens (human))
BDBM50307341
PNG
(6-(4-Chloro-benzyloxy)-benzo[b]thiophene-2-carboxa...)
Show SMILES NC(=N)c1cc2cc(ccc2s1)-c1cccc(OCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H17ClN2OS/c23-18-7-4-14(5-8-18)13-26-19-3-1-2-15(11-19)16-6-9-20-17(10-16)12-21(27-20)22(24)25/h1-12H,13H2,(H3,24,25)
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450n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Coagulation factor X


(Homo sapiens (human))
BDBM50307337
PNG
((2-Carbamimidoyl-benzo[b]thiophen-6-yloxy)-acetic ...)
Show SMILES CCOC(=O)COc1cccc(c1)-c1ccc2sc(cc2c1)C(N)=N
Show InChI InChI=1S/C19H18N2O3S/c1-2-23-18(22)11-24-15-5-3-4-12(9-15)13-6-7-16-14(8-13)10-17(25-16)19(20)21/h3-10H,2,11H2,1H3,(H3,20,21)
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600n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of factor 10 by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM50307339
PNG
(6-(4-Fluoro-benzyloxy)-benzo[b]thiophene-2-carboxa...)
Show SMILES NC(=N)c1cc2cc(ccc2s1)-c1cccc(OCc2ccc(F)cc2)c1
Show InChI InChI=1S/C22H17FN2OS/c23-18-7-4-14(5-8-18)13-26-19-3-1-2-15(11-19)16-6-9-20-17(10-16)12-21(27-20)22(24)25/h1-12H,13H2,(H3,24,25)
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700n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Coagulation factor IX and X


(Homo sapiens (human))
BDBM50307340
PNG
(6-(3-Chloro-benzyloxy)-benzo[b]thiophene-2-carboxa...)
Show SMILES NC(=N)c1cc2cc(ccc2s1)-c1cccc(OCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C22H17ClN2OS/c23-18-5-1-3-14(9-18)13-26-19-6-2-4-15(11-19)16-7-8-20-17(10-16)12-21(27-20)22(24)25/h1-12H,13H2,(H3,24,25)
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900n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Coagulation factor IX and X


(Homo sapiens (human))
BDBM50307344
PNG
(6-(4-Methyl-benzyloxy)-benzo[b]thiophene-2-carboxa...)
Show SMILES Cc1ccc(COc2cccc(c2)-c2ccc3sc(cc3c2)C(N)=N)cc1
Show InChI InChI=1S/C23H20N2OS/c1-15-5-7-16(8-6-15)14-26-20-4-2-3-17(12-20)18-9-10-21-19(11-18)13-22(27-21)23(24)25/h2-13H,14H2,1H3,(H3,24,25)
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900n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Coagulation factor IX and X


(Homo sapiens (human))
BDBM50307335
PNG
(5-Benzyloxy-benzo[b]thiophene-2-carboxamidine | CH...)
Show SMILES NC(=N)c1cc2cc(ccc2s1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C22H18N2OS/c23-22(24)21-13-18-12-17(8-11-20(18)26-21)16-6-9-19(10-7-16)25-14-15-4-2-1-3-5-15/h1-13H,14H2,(H3,23,24)
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1.90E+3n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Coagulation factor X


(Homo sapiens (human))
BDBM50307341
PNG
(6-(4-Chloro-benzyloxy)-benzo[b]thiophene-2-carboxa...)
Show SMILES NC(=N)c1cc2cc(ccc2s1)-c1cccc(OCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H17ClN2OS/c23-18-7-4-14(5-8-18)13-26-19-3-1-2-15(11-19)16-6-9-20-17(10-16)12-21(27-20)22(24)25/h1-12H,13H2,(H3,24,25)
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2.90E+3n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of factor 10 by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50307335
PNG
(5-Benzyloxy-benzo[b]thiophene-2-carboxamidine | CH...)
Show SMILES NC(=N)c1cc2cc(ccc2s1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C22H18N2OS/c23-22(24)21-13-18-12-17(8-11-20(18)26-21)16-6-9-19(10-7-16)25-14-15-4-2-1-3-5-15/h1-13H,14H2,(H3,23,24)
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3.70E+3n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of factor 10 by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM50307336
PNG
(6-Benzyloxybenzo[b]thiophene-2-carboxamidine | CHE...)
Show SMILES NC(=N)c1cc2cc(ccc2s1)-c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C22H18N2OS/c23-22(24)21-13-18-11-17(9-10-20(18)26-21)16-7-4-8-19(12-16)25-14-15-5-2-1-3-6-15/h1-13H,14H2,(H3,23,24)
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3.80E+3n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Coagulation factor IX and X


(Homo sapiens (human))
BDBM50307337
PNG
((2-Carbamimidoyl-benzo[b]thiophen-6-yloxy)-acetic ...)
Show SMILES CCOC(=O)COc1cccc(c1)-c1ccc2sc(cc2c1)C(N)=N
Show InChI InChI=1S/C19H18N2O3S/c1-2-23-18(22)11-24-15-5-3-4-12(9-15)13-6-7-16-14(8-13)10-17(25-16)19(20)21/h3-10H,2,11H2,1H3,(H3,20,21)
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3.80E+3n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Coagulation factor X


(Homo sapiens (human))
BDBM50307342
PNG
(6-(3-Methoxy-benzyloxy)-benzo[b]thiophene-2-carbox...)
Show SMILES COc1cccc(COc2cccc(c2)-c2ccc3sc(cc3c2)C(N)=N)c1
Show InChI InChI=1S/C23H20N2O2S/c1-26-19-6-2-4-15(10-19)14-27-20-7-3-5-16(12-20)17-8-9-21-18(11-17)13-22(28-21)23(24)25/h2-13H,14H2,1H3,(H3,24,25)
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4.30E+3n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of factor 10 by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50307340
PNG
(6-(3-Chloro-benzyloxy)-benzo[b]thiophene-2-carboxa...)
Show SMILES NC(=N)c1cc2cc(ccc2s1)-c1cccc(OCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C22H17ClN2OS/c23-18-5-1-3-14(9-18)13-26-19-6-2-4-15(11-19)16-7-8-20-17(10-16)12-21(27-20)22(24)25/h1-12H,13H2,(H3,24,25)
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4.30E+3n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of factor 10 by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM50307334
PNG
(5-(3,4-Dimethoxyphenyl)benzo[b]thiophene-2-carboxa...)
Show SMILES COc1ccc(cc1OC)-c1ccc2sc(cc2c1)C(N)=N
Show InChI InChI=1S/C17H16N2O2S/c1-20-13-5-3-11(8-14(13)21-2)10-4-6-15-12(7-10)9-16(22-15)17(18)19/h3-9H,1-2H3,(H3,18,19)
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5.90E+3n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Coagulation factor IX and X


(Homo sapiens (human))
BDBM50307350
PNG
(6-(2-Chloro-benzyloxy)-benzo[b]thiophene-2-carboxa...)
Show SMILES NC(=N)c1cc2cc(ccc2s1)-c1cccc(OCc2ccccc2Cl)c1
Show InChI InChI=1S/C22H17ClN2OS/c23-19-7-2-1-4-16(19)13-26-18-6-3-5-14(11-18)15-8-9-20-17(10-15)12-21(27-20)22(24)25/h1-12H,13H2,(H3,24,25)
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7.20E+3n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Coagulation factor X


(Homo sapiens (human))
BDBM50307339
PNG
(6-(4-Fluoro-benzyloxy)-benzo[b]thiophene-2-carboxa...)
Show SMILES NC(=N)c1cc2cc(ccc2s1)-c1cccc(OCc2ccc(F)cc2)c1
Show InChI InChI=1S/C22H17FN2OS/c23-18-7-4-14(5-8-18)13-26-19-3-1-2-15(11-19)16-6-9-20-17(10-16)12-21(27-20)22(24)25/h1-12H,13H2,(H3,24,25)
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7.30E+3n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of factor 10 by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50307344
PNG
(6-(4-Methyl-benzyloxy)-benzo[b]thiophene-2-carboxa...)
Show SMILES Cc1ccc(COc2cccc(c2)-c2ccc3sc(cc3c2)C(N)=N)cc1
Show InChI InChI=1S/C23H20N2OS/c1-15-5-7-16(8-6-15)14-26-20-4-2-3-17(12-20)18-9-10-21-19(11-18)13-22(27-21)23(24)25/h2-13H,14H2,1H3,(H3,24,25)
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7.90E+3n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of factor 10 by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM50307317
PNG
(4-(2-Carbamimidoyl-benzo[b]thiophen-6-yloxymethyl)...)
Show SMILES CC(=O)Oc1ccc(COc2cccc(c2)-c2ccc3sc(cc3c2)C(N)=N)cc1
Show InChI InChI=1S/C24H20N2O3S/c1-15(27)29-20-8-5-16(6-9-20)14-28-21-4-2-3-17(12-21)18-7-10-22-19(11-18)13-23(30-22)24(25)26/h2-13H,14H2,1H3,(H3,25,26)
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1.13E+4n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Coagulation factor X


(Homo sapiens (human))
BDBM50307334
PNG
(5-(3,4-Dimethoxyphenyl)benzo[b]thiophene-2-carboxa...)
Show SMILES COc1ccc(cc1OC)-c1ccc2sc(cc2c1)C(N)=N
Show InChI InChI=1S/C17H16N2O2S/c1-20-13-5-3-11(8-14(13)21-2)10-4-6-15-12(7-10)9-16(22-15)17(18)19/h3-9H,1-2H3,(H3,18,19)
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1.19E+4n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of factor 10 by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50307343
PNG
(6-(4-Methoxy-benzyloxy)-benzo[b]thiophene-2-carbox...)
Show SMILES COc1ccc(COc2cccc(c2)-c2ccc3sc(cc3c2)C(N)=N)cc1
Show InChI InChI=1S/C23H20N2O2S/c1-26-19-8-5-15(6-9-19)14-27-20-4-2-3-16(12-20)17-7-10-21-18(11-17)13-22(28-21)23(24)25/h2-13H,14H2,1H3,(H3,24,25)
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1.31E+4n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of factor 10 by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50307336
PNG
(6-Benzyloxybenzo[b]thiophene-2-carboxamidine | CHE...)
Show SMILES NC(=N)c1cc2cc(ccc2s1)-c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C22H18N2OS/c23-22(24)21-13-18-11-17(9-10-20(18)26-21)16-7-4-8-19(12-16)25-14-15-5-2-1-3-6-15/h1-13H,14H2,(H3,23,24)
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1.48E+4n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of factor 10 by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM50307321
PNG
(6-Phenethyloxy-benzo[b]thiophene-2-carboxamidine |...)
Show SMILES NC(=N)c1cc2cc(ccc2s1)-c1cccc(OCCc2ccccc2)c1
Show InChI InChI=1S/C23H20N2OS/c24-23(25)22-15-19-13-18(9-10-21(19)27-22)17-7-4-8-20(14-17)26-12-11-16-5-2-1-3-6-16/h1-10,13-15H,11-12H2,(H3,24,25)
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2.16E+4n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Coagulation factor IX and X


(Homo sapiens (human))
BDBM50307348
PNG
(6-(3,4-Dimethoxy-phenyl)-benzo[b]thiophene-2-carbo...)
Show SMILES COc1ccc(cc1OC)-c1cccc(c1)-c1ccc2sc(cc2c1)C(N)=N
Show InChI InChI=1S/C23H20N2O2S/c1-26-19-8-6-17(12-20(19)27-2)15-5-3-4-14(10-15)16-7-9-21-18(11-16)13-22(28-21)23(24)25/h3-13H,1-2H3,(H3,24,25)
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2.42E+4n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Coagulation factor IX and X


(Homo sapiens (human))
BDBM50307351
PNG
(6-(2-Methoxy-benzyloxy)-benzo[b]thiophene-2-carbox...)
Show SMILES COc1ccccc1COc1cccc(c1)-c1ccc2sc(cc2c1)C(N)=N
Show InChI InChI=1S/C23H20N2O2S/c1-26-20-8-3-2-5-17(20)14-27-19-7-4-6-15(12-19)16-9-10-21-18(11-16)13-22(28-21)23(24)25/h2-13H,14H2,1H3,(H3,24,25)
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2.69E+4n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
3D
3D Structure (docked)