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44 similar compounds to monomer 12751

Compile data set for download or QSAR
Wt: 461.5
BDBM18965
Wt: 447.5
BDBM18966
Wt: 447.5
BDBM18967
Wt: 447.5
BDBM18968
Wt: 462.5
BDBM18971
Wt: 475.5
BDBM18972
Wt: 466.9
BDBM18973
Wt: 432.4
BDBM18974
Wt: 457.5
BDBM18975
Wt: 511.5
BDBM18977
Wt: 487.5
BDBM18979
Wt: 476.3
BDBM18980
Wt: 487.5
BDBM18981
Wt: 490.5
BDBM18985
Wt: 483.5
BDBM18986
Displayed 1 to 15 (of 44 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 18965,18966,18967,18968,18971,18972,18973,18974,18975,18977,18979,18980,18981,18985,18986   
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 X


(Homo sapiens (Human))
BDBM18965
PNG
(1-[3-(aminomethyl)phenyl]-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(CN)c1
Show InChI InChI=1S/C24H23N5O3S/c1-16-13-22(29(28-16)20-6-4-5-17(14-20)15-25)24(30)27-19-11-9-18(10-12-19)21-7-2-3-8-23(21)33(26,31)32/h2-14H,15,25H2,1H3,(H,27,30)(H2,26,31,32)
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2.70n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18965
PNG
(1-[3-(aminomethyl)phenyl]-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(CN)c1
Show InChI InChI=1S/C24H23N5O3S/c1-16-13-22(29(28-16)20-6-4-5-17(14-20)15-25)24(30)27-19-11-9-18(10-12-19)21-7-2-3-8-23(21)33(26,31)32/h2-14H,15,25H2,1H3,(H,27,30)(H2,26,31,32)
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2.70n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 566-78 (2001)


Article DOI: 10.1021/jm000409z
BindingDB Entry DOI: 10.7270/Q2RF5VQK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18965
PNG
(1-[3-(aminomethyl)phenyl]-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(CN)c1
Show InChI InChI=1S/C24H23N5O3S/c1-16-13-22(29(28-16)20-6-4-5-17(14-20)15-25)24(30)27-19-11-9-18(10-12-19)21-7-2-3-8-23(21)33(26,31)32/h2-14H,15,25H2,1H3,(H,27,30)(H2,26,31,32)
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2.70 -11.6n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...


J Med Chem 46: 4405-18 (2003)


Article DOI: 10.1021/jm020578e
BindingDB Entry DOI: 10.7270/Q2TT4P78
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18965
PNG
(1-[3-(aminomethyl)phenyl]-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(CN)c1
Show InChI InChI=1S/C24H23N5O3S/c1-16-13-22(29(28-16)20-6-4-5-17(14-20)15-25)24(30)27-19-11-9-18(10-12-19)21-7-2-3-8-23(21)33(26,31)32/h2-14H,15,25H2,1H3,(H,27,30)(H2,26,31,32)
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4.10n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro activity against rabbit FXa.


J Med Chem 44: 566-78 (2001)


Article DOI: 10.1021/jm000409z
BindingDB Entry DOI: 10.7270/Q2RF5VQK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18971
PNG
(1-(4-methoxyphenyl)-3-methyl-N-[4-(2-sulfamoylphen...)
Show SMILES COc1ccc(cc1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H22N4O4S/c1-16-15-22(28(27-16)19-11-13-20(32-2)14-12-19)24(29)26-18-9-7-17(8-10-18)21-5-3-4-6-23(21)33(25,30)31/h3-15H,1-2H3,(H,26,29)(H2,25,30,31)
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11n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18971
PNG
(1-(4-methoxyphenyl)-3-methyl-N-[4-(2-sulfamoylphen...)
Show SMILES COc1ccc(cc1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H22N4O4S/c1-16-15-22(28(27-16)19-11-13-20(32-2)14-12-19)24(29)26-18-9-7-17(8-10-18)21-5-3-4-6-23(21)33(25,30)31/h3-15H,1-2H3,(H,26,29)(H2,25,30,31)
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11 -10.7n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...


J Med Chem 46: 4405-18 (2003)


Article DOI: 10.1021/jm020578e
BindingDB Entry DOI: 10.7270/Q2TT4P78
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18985
PNG
(1-[3-(N'-hydroxycarbamimidoyl)phenyl]-3-methyl-N-[...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(=N)NO
Show InChI InChI=1S/C24H22N6O4S/c1-15-13-21(30(28-15)19-6-4-5-17(14-19)23(25)29-32)24(31)27-18-11-9-16(10-12-18)20-7-2-3-8-22(20)35(26,33)34/h2-14,32H,1H3,(H2,25,29)(H,27,31)(H2,26,33,34)
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19 -10.4n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...


J Med Chem 46: 4405-18 (2003)


Article DOI: 10.1021/jm020578e
BindingDB Entry DOI: 10.7270/Q2TT4P78
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18972
PNG
(1-(3-carbamoylphenyl)-3-methyl-N-[4-(2-sulfamoylph...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C24H21N5O4S/c1-15-13-21(29(28-15)19-6-4-5-17(14-19)23(25)30)24(31)27-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(26,32)33/h2-14H,1H3,(H2,25,30)(H,27,31)(H2,26,32,33)
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19 -10.4n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...


J Med Chem 46: 4405-18 (2003)


Article DOI: 10.1021/jm020578e
BindingDB Entry DOI: 10.7270/Q2TT4P78
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18979
PNG
(1-(3-amino-1H-indazol-5-yl)-3-methyl-N-[4-(2-sulfa...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2[nH]nc(N)c2c1
Show InChI InChI=1S/C24H21N7O3S/c1-14-12-21(31(30-14)17-10-11-20-19(13-17)23(25)29-28-20)24(32)27-16-8-6-15(7-9-16)18-4-2-3-5-22(18)35(26,33)34/h2-13H,1H3,(H,27,32)(H3,25,28,29)(H2,26,33,34)
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29 -10.2n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...


J Med Chem 46: 4405-18 (2003)


Article DOI: 10.1021/jm020578e
BindingDB Entry DOI: 10.7270/Q2TT4P78
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18973
PNG
(1-(3-chlorophenyl)-3-methyl-N-[4-(2-sulfamoylpheny...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C23H19ClN4O3S/c1-15-13-21(28(27-15)19-6-4-5-17(24)14-19)23(29)26-18-11-9-16(10-12-18)20-7-2-3-8-22(20)32(25,30)31/h2-14H,1H3,(H,26,29)(H2,25,30,31)
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37 -10.0n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...


J Med Chem 46: 4405-18 (2003)


Article DOI: 10.1021/jm020578e
BindingDB Entry DOI: 10.7270/Q2TT4P78
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18980
PNG
(1-[3-(dihydroxyboranyl)phenyl]-3-methyl-N-[4-(2-su...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)B(O)O
Show InChI InChI=1S/C23H21BN4O5S/c1-15-13-21(28(27-15)19-6-4-5-17(14-19)24(30)31)23(29)26-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(25,32)33/h2-14,30-31H,1H3,(H,26,29)(H2,25,32,33)
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61 -9.74n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...


J Med Chem 46: 4405-18 (2003)


Article DOI: 10.1021/jm020578e
BindingDB Entry DOI: 10.7270/Q2TT4P78
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18966
PNG
(1-(3-aminophenyl)-3-methyl-N-[4-(2-sulfamoylphenyl...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(N)c1
Show InChI InChI=1S/C23H21N5O3S/c1-15-13-21(28(27-15)19-6-4-5-17(24)14-19)23(29)26-18-11-9-16(10-12-18)20-7-2-3-8-22(20)32(25,30)31/h2-14H,24H2,1H3,(H,26,29)(H2,25,30,31)
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63 -9.72n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...


J Med Chem 46: 4405-18 (2003)


Article DOI: 10.1021/jm020578e
BindingDB Entry DOI: 10.7270/Q2TT4P78
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18974
PNG
(3-methyl-1-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccccc1
Show InChI InChI=1S/C23H20N4O3S/c1-16-15-21(27(26-16)19-7-3-2-4-8-19)23(28)25-18-13-11-17(12-14-18)20-9-5-6-10-22(20)31(24,29)30/h2-15H,1H3,(H,25,28)(H2,24,29,30)
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198 -9.05n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...


J Med Chem 46: 4405-18 (2003)


Article DOI: 10.1021/jm020578e
BindingDB Entry DOI: 10.7270/Q2TT4P78
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18974
PNG
(3-methyl-1-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccccc1
Show InChI InChI=1S/C23H20N4O3S/c1-16-15-21(27(26-16)19-7-3-2-4-8-19)23(28)25-18-13-11-17(12-14-18)20-9-5-6-10-22(20)31(24,29)30/h2-15H,1H3,(H,25,28)(H2,24,29,30)
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198n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM18965
PNG
(1-[3-(aminomethyl)phenyl]-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(CN)c1
Show InChI InChI=1S/C24H23N5O3S/c1-16-13-22(29(28-16)20-6-4-5-17(14-20)15-25)24(30)27-19-11-9-18(10-12-19)21-7-2-3-8-23(21)33(26,31)32/h2-14H,15,25H2,1H3,(H,27,30)(H2,26,31,32)
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248 -8.91n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...


J Med Chem 46: 4405-18 (2003)


Article DOI: 10.1021/jm020578e
BindingDB Entry DOI: 10.7270/Q2TT4P78
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM18965
PNG
(1-[3-(aminomethyl)phenyl]-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(CN)c1
Show InChI InChI=1S/C24H23N5O3S/c1-16-13-22(29(28-16)20-6-4-5-17(14-20)15-25)24(30)27-19-11-9-18(10-12-19)21-7-2-3-8-23(21)33(26,31)32/h2-14H,15,25H2,1H3,(H,27,30)(H2,26,31,32)
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250n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin II


(Homo sapiens (Human))
BDBM18965
PNG
(1-[3-(aminomethyl)phenyl]-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(CN)c1
Show InChI InChI=1S/C24H23N5O3S/c1-16-13-22(29(28-16)20-6-4-5-17(14-20)15-25)24(30)27-19-11-9-18(10-12-19)21-7-2-3-8-23(21)33(26,31)32/h2-14H,15,25H2,1H3,(H,27,30)(H2,26,31,32)
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250n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro activity against human trypsin.


J Med Chem 44: 566-78 (2001)


Article DOI: 10.1021/jm000409z
BindingDB Entry DOI: 10.7270/Q2RF5VQK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18975
PNG
(1-(3-cyanophenyl)-3-methyl-N-[4-(2-sulfamoylphenyl...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H19N5O3S/c1-16-13-22(29(28-16)20-6-4-5-17(14-20)15-25)24(30)27-19-11-9-18(10-12-19)21-7-2-3-8-23(21)33(26,31)32/h2-14H,1H3,(H,27,30)(H2,26,31,32)
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310 -8.78n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...


J Med Chem 46: 4405-18 (2003)


Article DOI: 10.1021/jm020578e
BindingDB Entry DOI: 10.7270/Q2TT4P78
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18986
PNG
(1-(isoquinolin-7-yl)-3-methyl-N-[4-(2-sulfamoylphe...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccncc2c1
Show InChI InChI=1S/C26H21N5O3S/c1-17-14-24(31(30-17)22-11-8-18-12-13-28-16-20(18)15-22)26(32)29-21-9-6-19(7-10-21)23-4-2-3-5-25(23)35(27,33)34/h2-16H,1H3,(H,29,32)(H2,27,33,34)
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370 -8.68n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...


J Med Chem 46: 4405-18 (2003)


Article DOI: 10.1021/jm020578e
BindingDB Entry DOI: 10.7270/Q2TT4P78
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18967
PNG
(1-(2-aminophenyl)-3-methyl-N-[4-(2-sulfamoylphenyl...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccccc1N
Show InChI InChI=1S/C23H21N5O3S/c1-15-14-21(28(27-15)20-8-4-3-7-19(20)24)23(29)26-17-12-10-16(11-13-17)18-6-2-5-9-22(18)32(25,30)31/h2-14H,24H2,1H3,(H,26,29)(H2,25,30,31)
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600 -8.40n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...


J Med Chem 46: 4405-18 (2003)


Article DOI: 10.1021/jm020578e
BindingDB Entry DOI: 10.7270/Q2TT4P78
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM18971
PNG
(1-(4-methoxyphenyl)-3-methyl-N-[4-(2-sulfamoylphen...)
Show SMILES COc1ccc(cc1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H22N4O4S/c1-16-15-22(28(27-16)19-11-13-20(32-2)14-12-19)24(29)26-18-9-7-17(8-10-18)21-5-3-4-6-23(21)33(25,30)31/h3-15H,1-2H3,(H,26,29)(H2,25,30,31)
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>1.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM18974
PNG
(3-methyl-1-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccccc1
Show InChI InChI=1S/C23H20N4O3S/c1-16-15-21(27(26-16)19-7-3-2-4-8-19)23(28)25-18-13-11-17(12-14-18)20-9-5-6-10-22(20)31(24,29)30/h2-15H,1H3,(H,25,28)(H2,24,29,30)
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>1.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18981
PNG
(1-(3-amino-1H-indazol-6-yl)-3-methyl-N-[4-(2-sulfa...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2c(N)n[nH]c2c1
Show InChI InChI=1S/C24H21N7O3S/c1-14-12-21(31(30-14)17-10-11-19-20(13-17)28-29-23(19)25)24(32)27-16-8-6-15(7-9-16)18-4-2-3-5-22(18)35(26,33)34/h2-13H,1H3,(H,27,32)(H3,25,28,29)(H2,26,33,34)
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2.80E+3 -7.49n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...


J Med Chem 46: 4405-18 (2003)


Article DOI: 10.1021/jm020578e
BindingDB Entry DOI: 10.7270/Q2TT4P78
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18968
PNG
(1-(4-aminophenyl)-3-methyl-N-[4-(2-sulfamoylphenyl...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc(N)cc1
Show InChI InChI=1S/C23H21N5O3S/c1-15-14-21(28(27-15)19-12-8-17(24)9-13-19)23(29)26-18-10-6-16(7-11-18)20-4-2-3-5-22(20)32(25,30)31/h2-14H,24H2,1H3,(H,26,29)(H2,25,30,31)
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3.00E+3 -7.45n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...


J Med Chem 46: 4405-18 (2003)


Article DOI: 10.1021/jm020578e
BindingDB Entry DOI: 10.7270/Q2TT4P78
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18977
PNG
(3-methyl-1-(3-sulfamoylphenyl)-N-[4-(2-sulfamoylph...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C23H21N5O5S2/c1-15-13-21(28(27-15)18-5-4-6-19(14-18)34(24,30)31)23(29)26-17-11-9-16(10-12-17)20-7-2-3-8-22(20)35(25,32)33/h2-14H,1H3,(H,26,29)(H2,24,30,31)(H2,25,32,33)
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5.00E+3 -7.15n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...


J Med Chem 46: 4405-18 (2003)


Article DOI: 10.1021/jm020578e
BindingDB Entry DOI: 10.7270/Q2TT4P78
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM18965
PNG
(1-[3-(aminomethyl)phenyl]-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(CN)c1
Show InChI InChI=1S/C24H23N5O3S/c1-16-13-22(29(28-16)20-6-4-5-17(14-20)15-25)24(30)27-19-11-9-18(10-12-19)21-7-2-3-8-23(21)33(26,31)32/h2-14H,15,25H2,1H3,(H,27,30)(H2,26,31,32)
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6.00E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM18965
PNG
(1-[3-(aminomethyl)phenyl]-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(CN)c1
Show InChI InChI=1S/C24H23N5O3S/c1-16-13-22(29(28-16)20-6-4-5-17(14-20)15-25)24(30)27-19-11-9-18(10-12-19)21-7-2-3-8-23(21)33(26,31)32/h2-14H,15,25H2,1H3,(H,27,30)(H2,26,31,32)
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2.10E+4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro activity against human thrombin.


J Med Chem 44: 566-78 (2001)


Article DOI: 10.1021/jm000409z
BindingDB Entry DOI: 10.7270/Q2RF5VQK
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM18974
PNG
(3-methyl-1-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccccc1
Show InChI InChI=1S/C23H20N4O3S/c1-16-15-21(27(26-16)19-7-3-2-4-8-19)23(28)25-18-13-11-17(12-14-18)20-9-5-6-10-22(20)31(24,29)30/h2-15H,1H3,(H,25,28)(H2,24,29,30)
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>2.10E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM18971
PNG
(1-(4-methoxyphenyl)-3-methyl-N-[4-(2-sulfamoylphen...)
Show SMILES COc1ccc(cc1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H22N4O4S/c1-16-15-22(28(27-16)19-11-13-20(32-2)14-12-19)24(29)26-18-9-7-17(8-10-18)21-5-3-4-6-23(21)33(25,30)31/h3-15H,1-2H3,(H,26,29)(H2,25,30,31)
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>2.10E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair