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PubMed code 14521405

Compile data set for download or QSAR
Found 29 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))
BDBM12751
PNG
(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)
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Article
PubMed
0.0130 -61.5n/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))
BDBM18982
PNG
(1-(1-aminoisoquinolin-7-yl)-3-methyl-N-[4-(2-sulfa...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccnc(N)c2c1
Show InChI InChI=1S/C26H22N6O3S/c1-16-14-23(32(31-16)20-11-8-18-12-13-29-25(27)22(18)15-20)26(33)30-19-9-6-17(7-10-19)21-4-2-3-5-24(21)36(28,34)35/h2-15H,1H3,(H2,27,29)(H,30,33)(H2,28,34,35)
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PubMed
0.330 -53.6n/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))
BDBM18978
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-3-methyl-N-[4-(2-s...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2onc(N)c2c1
Show InChI InChI=1S/C24H20N6O4S/c1-14-12-20(30(28-14)17-10-11-21-19(13-17)23(25)29-34-21)24(31)27-16-8-6-15(7-9-16)18-4-2-3-5-22(18)35(26,32)33/h2-13H,1H3,(H2,25,29)(H,27,31)(H2,26,32,33)
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Article
PubMed
1.40 -50.0n/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))
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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Article
PubMed
2.70 -48.4n/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))
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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PubMed
11 -45.0n/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
Serine protease 1


(Bos taurus (bovine))
BDBM12751
PNG
(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)
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PubMed
16 -44.0n/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))
BDBM18983
PNG
(1-(2,4-diaminoquinazolin-6-yl)-3-methyl-N-[4-(2-su...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C25H22N8O3S/c1-14-12-21(33(32-14)17-10-11-20-19(13-17)23(26)31-25(27)30-20)24(34)29-16-8-6-15(7-9-16)18-4-2-3-5-22(18)37(28,35)36/h2-13H,1H3,(H,29,34)(H2,28,35,36)(H4,26,27,30,31)
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16 -44.0n/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))
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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Article
PubMed
19 -43.6n/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))
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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PubMed
19 -43.6n/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))
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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PubMed
29 -42.6n/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))
BDBM18984
PNG
(1-(4-aminoquinazolin-6-yl)-3-methyl-N-[4-(2-sulfam...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C25H21N7O3S/c1-15-12-22(32(31-15)18-10-11-21-20(13-18)24(26)29-14-28-21)25(33)30-17-8-6-16(7-9-17)19-4-2-3-5-23(19)36(27,34)35/h2-14H,1H3,(H,30,33)(H2,26,28,29)(H2,27,34,35)
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PubMed
29 -42.6n/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))
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 -42.0n/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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Article
PubMed
61 -40.8n/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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PubMed
63 -40.7n/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))
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 -37.9n/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
Serine protease 1


(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 -37.3n/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
Prothrombin


(Homo sapiens (Human))
BDBM12751
PNG
(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)
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300 -36.9n/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))
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 -36.8n/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 -36.3n/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 -35.2n/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))
BDBM18987
PNG
(1-(6-aminopyridin-3-yl)-3-methyl-N-[4-(2-sulfamoyl...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc(N)nc1
Show InChI InChI=1S/C22H20N6O3S/c1-14-12-19(28(27-14)17-10-11-21(23)25-13-17)22(29)26-16-8-6-15(7-9-16)18-4-2-3-5-20(18)32(24,30)31/h2-13H,1H3,(H2,23,25)(H,26,29)(H2,24,30,31)
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PubMed
1.30E+3 -33.3n/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
Serine protease 1


(Bos taurus (bovine))
BDBM18982
PNG
(1-(1-aminoisoquinolin-7-yl)-3-methyl-N-[4-(2-sulfa...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccnc(N)c2c1
Show InChI InChI=1S/C26H22N6O3S/c1-16-14-23(32(31-16)20-11-8-18-12-13-29-25(27)22(18)15-20)26(33)30-19-9-6-17(7-10-19)21-4-2-3-5-24(21)36(28,34)35/h2-15H,1H3,(H2,27,29)(H,30,33)(H2,28,34,35)
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2.60E+3 -31.6n/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))
BDBM18976
PNG
(3-methyl-1-{3-[(methyl--sulfanyl)amino]phenyl}-N-[...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)S(C)=N
Show InChI InChI=1S/C24H23N5O3S2/c1-16-14-22(29(28-16)19-6-5-7-20(15-19)33(2)25)24(30)27-18-12-10-17(11-13-18)21-8-3-4-9-23(21)34(26,31)32/h3-15,25H,1-2H3,(H,27,30)(H2,26,31,32)
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PubMed
2.70E+3 -31.5n/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))
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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PubMed
2.80E+3 -31.4n/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))
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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PubMed
3.00E+3 -31.2n/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))
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 -30.0n/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
Prothrombin


(Homo sapiens (Human))
BDBM18982
PNG
(1-(1-aminoisoquinolin-7-yl)-3-methyl-N-[4-(2-sulfa...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccnc(N)c2c1
Show InChI InChI=1S/C26H22N6O3S/c1-16-14-23(32(31-16)20-11-8-18-12-13-29-25(27)22(18)15-20)26(33)30-19-9-6-17(7-10-19)21-4-2-3-5-24(21)36(28,34)35/h2-15H,1H3,(H2,27,29)(H,30,33)(H2,28,34,35)
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6.50E+3 -29.3n/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))
BDBM18969
PNG
(1-(4-aminobutyl)-3-methyl-N-[4-(2-sulfamoylphenyl)...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(CCCCN)n1
Show InChI InChI=1S/C21H25N5O3S/c1-15-14-19(26(25-15)13-5-4-12-22)21(27)24-17-10-8-16(9-11-17)18-6-2-3-7-20(18)30(23,28)29/h2-3,6-11,14H,4-5,12-13,22H2,1H3,(H,24,27)(H2,23,28,29)
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1.20E+4 -27.8n/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))
BDBM18970
PNG
(3-methyl-1-(piperidin-3-yl)-N-[4-(2-sulfamoylpheny...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)C1CCCNC1
Show InChI InChI=1S/C22H25N5O3S/c1-15-13-20(27(26-15)18-5-4-12-24-14-18)22(28)25-17-10-8-16(9-11-17)19-6-2-3-7-21(19)31(23,29)30/h2-3,6-11,13,18,24H,4-5,12,14H2,1H3,(H,25,28)(H2,23,29,30)
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2.10E+4 -26.4n/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
* indicates data uncertainty>20%