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Compile Data Set for Download or QSAR

Found 8960 hits Enz. Inhib. hit(s) with Target = 'Prothrombin'   
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
Prothrombin


(Homo sapiens (Human))
BDBM12864
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...)
Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-n1c(C)nc2c(nn(-c3ccc4onc(N)c4c3)c2c1=O)C(F)(F)F
Show InChI InChI=1S/C29H24F3N7O2/c1-16-34-24-25(39(35-26(24)29(30,31)32)20-12-13-23-22(14-20)27(33)36-41-23)28(40)38(16)19-10-8-17(9-11-19)21-7-5-4-6-18(21)15-37(2)3/h4-14H,15H2,1-3H3,(H2,33,36)
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130 -38.9n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



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


Bioorg Med Chem Lett 16: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM12868
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(c2NCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F
Show InChI InChI=1S/C30H26F3N7O3/c31-30(32,33)27-25-26(40(36-27)20-9-10-24-23(13-20)28(34)37-43-24)29(42)39(16-35-25)19-7-5-17(6-8-19)22-4-2-1-3-18(22)14-38-12-11-21(41)15-38/h1-10,13,21,35,41H,11-12,14-16H2,(H2,34,37)/t21-/m1/s1
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130 -38.9n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



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


Bioorg Med Chem Lett 16: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM12861
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...)
Show SMILES Cc1nn(-c2ccc3onc(N)c3c2)c2c1nc(C)n(-c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)c2=O
Show InChI InChI=1S/C31H29N7O3/c1-18-28-29(38(34-18)23-11-12-27-26(15-23)30(32)35-41-27)31(40)37(19(2)33-28)22-9-7-20(8-10-22)25-6-4-3-5-21(25)16-36-14-13-24(39)17-36/h3-12,15,24,39H,13-14,16-17H2,1-2H3,(H2,32,35)/t24-/m1/s1
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245 -37.4n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



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


Bioorg Med Chem Lett 16: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
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
Prothrombin


(Homo sapiens (Human))
BDBM12860
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...)
Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-n1c(C)nc2c(C)nn(-c3ccc4onc(N)c4c3)c2c1=O
Show InChI InChI=1S/C29H27N7O2/c1-17-26-27(36(32-17)22-13-14-25-24(15-22)28(30)33-38-25)29(37)35(18(2)31-26)21-11-9-19(10-12-21)23-8-6-5-7-20(23)16-34(3)4/h5-15H,16H2,1-4H3,(H2,30,33)
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305 -36.8n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



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


Bioorg Med Chem Lett 16: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM12676
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...)
Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)
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540 -35.4n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



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


Bioorg Med Chem Lett 16: 3755-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.044
BindingDB Entry DOI: 10.7270/Q2319T41
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
Prothrombin


(Homo sapiens (Human))
BDBM14073
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimi...)
Show SMILES CN[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C34H39N7O3S/c1-37-29(28(22-12-4-2-5-13-22)23-14-6-3-7-15-23)33(44)41-21-11-18-26(41)31(43)39-25(17-10-20-38-34(35)36)30(42)32-40-24-16-8-9-19-27(24)45-32/h2-9,12-16,19,25-26,28-29,37H,10-11,17-18,20-21H2,1H3,(H,39,43)(H4,35,36,38)/t25-,26-,29+/m0/s1
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0.000650 -72.4 4.5n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14065
PNG
((2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[1-(1,3-...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C27H33N7O3S/c28-18(16-17-8-2-1-3-9-17)26(37)34-15-7-12-21(34)24(36)32-20(11-6-14-31-27(29)30)23(35)25-33-19-10-4-5-13-22(19)38-25/h1-5,8-10,13,18,20-21H,6-7,11-12,14-16,28H2,(H,32,36)(H4,29,30,31)/t18-,20?,21+/m1/s1
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0.00550 -66.9 21n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14076
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimi...)
Show SMILES CN[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C27H39N7O3S/c1-30-22(17-9-3-2-4-10-17)26(37)34-16-8-13-20(34)24(36)32-19(12-7-15-31-27(28)29)23(35)25-33-18-11-5-6-14-21(18)38-25/h5-6,11,14,17,19-20,22,30H,2-4,7-10,12-13,15-16H2,1H3,(H,32,36)(H4,28,29,31)/t19-,20-,22+/m0/s1
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0.0180 -63.8 5.30n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM32657
PNG
(benzamidine- based compound, 6)
Show SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCCC1C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C28H31N5O2/c29-25(24(20-8-3-1-4-9-20)21-10-5-2-6-11-21)28(35)33-17-7-12-23(33)27(34)32-18-19-13-15-22(16-14-19)26(30)31/h1-6,8-11,13-16,23-25H,7,12,17-18,29H2,(H3,30,31)(H,32,34)/t23?,25-/m1/s1
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0.100 -57.1n/an/an/an/an/a7.425



Philipps-University Marburg



Assay Description
Kinetic inhibition of human thrombin was determined photometrically at 405 nm using the chromogenic substrate Pefachrom tPa. Reactions were performed...


J Mol Biol 391: 552-64 (2009)


Article DOI: 10.1016/j.jmb.2009.06.016
BindingDB Entry DOI: 10.7270/Q2RV0M1Z
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14066
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES CN[C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H34FN7O3S/c1-32-21(16-17-10-12-18(29)13-11-17)27(39)36-15-5-8-22(36)25(38)34-20(7-4-14-33-28(30)31)24(37)26-35-19-6-2-3-9-23(19)40-26/h2-3,6,9-13,20-22,32H,4-5,7-8,14-16H2,1H3,(H,34,38)(H4,30,31,33)/t20?,21-,22+/m1/s1
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0.120 -58.9 15n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14068
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES CN[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H41N7O3S/c1-31-21(17-18-9-3-2-4-10-18)27(38)35-16-8-13-22(35)25(37)33-20(12-7-15-32-28(29)30)24(36)26-34-19-11-5-6-14-23(19)39-26/h5-6,11,14,18,20-22,31H,2-4,7-10,12-13,15-17H2,1H3,(H,33,37)(H4,29,30,32)/t20?,21-,22+/m1/s1
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0.180 -57.9 48n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14063
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H35N7O3S/c1-31-21(17-18-9-3-2-4-10-18)27(38)35-16-8-13-22(35)25(37)33-20(12-7-15-32-28(29)30)24(36)26-34-19-11-5-6-14-23(19)39-26/h2-6,9-11,14,20-22,31H,7-8,12-13,15-17H2,1H3,(H,33,37)(H4,29,30,32)/t20?,21-,22+/m1/s1
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0.200 -57.6 29n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14071
PNG
((2S)-1-(2-amino-2-benzylpropanoyl)-N-[1-(1,3-benzo...)
Show SMILES CC(N)(Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H35N7O3S/c1-28(31,17-18-9-3-2-4-10-18)26(38)35-16-8-13-21(35)24(37)33-20(12-7-15-32-27(29)30)23(36)25-34-19-11-5-6-14-22(19)39-25/h2-6,9-11,14,20-21H,7-8,12-13,15-17,31H2,1H3,(H,33,37)(H4,29,30,32)/t20?,21-,28?/m0/s1
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0.200 -57.6 3.5n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14072
PNG
(2-ketobenzothiazole 12 | 2-{[(2R)-1-[(2S)-2-{[1-(1...)
Show SMILES NC(N)=NCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C29H41N7O5S/c30-29(31)32-14-6-11-20(25(39)27-35-19-10-4-5-13-23(19)42-27)34-26(40)22-12-7-15-36(22)28(41)21(33-17-24(37)38)16-18-8-2-1-3-9-18/h4-5,10,13,18,20-22,33H,1-3,6-9,11-12,14-17H2,(H,34,40)(H,37,38)(H4,30,31,32)/t20?,21-,22+/m1/s1
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0.360 -56.1 29n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14075
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES CN[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)c1nc2ccccc2s1)c1ccccc1
Show InChI InChI=1S/C27H33N7O3S/c1-30-22(17-9-3-2-4-10-17)26(37)34-16-8-13-20(34)24(36)32-19(12-7-15-31-27(28)29)23(35)25-33-18-11-5-6-14-21(18)38-25/h2-6,9-11,14,19-20,22,30H,7-8,12-13,15-16H2,1H3,(H,32,36)(H4,28,29,31)/t19?,20-,22+/m0/s1
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0.460 -55.4 34n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14074
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES NC(N)=NCCCC(NC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C33H36N6O3S/c34-33(35)36-19-9-16-26(30(41)32-38-25-15-7-8-18-28(25)43-32)37-31(42)27-17-10-20-39(27)29(40)21-24(22-11-3-1-4-12-22)23-13-5-2-6-14-23/h1-8,11-15,18,24,26-27H,9-10,16-17,19-21H2,(H,37,42)(H4,34,35,36)/t26?,27-/m0/s1
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1.10 -53.2 11n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14078
PNG
((2S)-1-(2-amino-2,2-diphenylacetyl)-N-[1-(1,3-benz...)
Show SMILES NC(N)=NCCCC(NC(=O)[C@@H]1CCCN1C(=O)C(N)(c1ccccc1)c1ccccc1)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C32H35N7O3S/c33-31(34)36-19-9-16-24(27(40)29-38-23-15-7-8-18-26(23)43-29)37-28(41)25-17-10-20-39(25)30(42)32(35,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-8,11-15,18,24-25H,9-10,16-17,19-20,35H2,(H,37,41)(H4,33,34,36)/t24?,25-/m0/s1
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2.10 -51.5 15n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14067
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES CN[C@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H30F5N7O3S/c1-36-16(12-13-19(29)21(31)23(33)22(32)20(13)30)27(43)40-11-5-8-17(40)25(42)38-15(7-4-10-37-28(34)35)24(41)26-39-14-6-2-3-9-18(14)44-26/h2-3,6,9,15-17,36H,4-5,7-8,10-12H2,1H3,(H,38,42)(H4,34,35,37)/t15?,16-,17+/m1/s1
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3.80 -50.0 150n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM32656
PNG
(benzamidine- based compound, 5)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C22H27N5O2/c23-18(13-15-5-2-1-3-6-15)22(29)27-12-4-7-19(27)21(28)26-14-16-8-10-17(11-9-16)20(24)25/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H3,24,25)(H,26,28)/t18-,19?/m1/s1
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4 -47.9n/an/an/an/an/a7.425



Philipps-University Marburg



Assay Description
Kinetic inhibition of human thrombin was determined photometrically at 405 nm using the chromogenic substrate Pefachrom tPa. Reactions were performed...


J Mol Biol 391: 552-64 (2009)


Article DOI: 10.1016/j.jmb.2009.06.016
BindingDB Entry DOI: 10.7270/Q2RV0M1Z
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14069
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C29H35N7O4S/c1-18(37)33-22(17-19-9-3-2-4-10-19)28(40)36-16-8-13-23(36)26(39)34-21(12-7-15-32-29(30)31)25(38)27-35-20-11-5-6-14-24(20)41-27/h2-6,9-11,14,21-23H,7-8,12-13,15-17H2,1H3,(H,33,37)(H,34,39)(H4,30,31,32)/t21?,22-,23+/m1/s1
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13 -46.8 430n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14070
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C29H37N7O5S2/c1-2-43(40,41)35-22(18-19-10-4-3-5-11-19)28(39)36-17-9-14-23(36)26(38)33-21(13-8-16-32-29(30)31)25(37)27-34-20-12-6-7-15-24(20)42-27/h3-7,10-12,15,21-23,35H,2,8-9,13-14,16-18H2,1H3,(H,33,38)(H4,30,31,32)/t21?,22-,23+/m1/s1
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24 -45.2 500n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM32654
PNG
(m-chlorobenzylamide, 3)
Show SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C27H28ClN3O2/c28-22-14-7-9-19(17-22)18-30-26(32)23-15-8-16-31(23)27(33)25(29)24(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-7,9-14,17,23-25H,8,15-16,18,29H2,(H,30,32)/t23?,25-/m1/s1
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47 -41.8n/an/an/an/an/a7.425



Philipps-University Marburg



Assay Description
Kinetic inhibition of human thrombin was determined photometrically at 405 nm using the chromogenic substrate Pefachrom tPa. Reactions were performed...


J Mol Biol 391: 552-64 (2009)


Article DOI: 10.1016/j.jmb.2009.06.016
BindingDB Entry DOI: 10.7270/Q2RV0M1Z
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14077
PNG
((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Show SMILES CNC1(CCCCC1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C26H37N7O3S/c1-29-26(13-5-2-6-14-26)24(36)33-16-8-11-19(33)22(35)31-18(10-7-15-30-25(27)28)21(34)23-32-17-9-3-4-12-20(17)37-23/h3-4,9,12,18-19,29H,2,5-8,10-11,13-16H2,1H3,(H,31,35)(H4,27,28,30)/t18?,19-/m0/s1
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73 -42.4 490n/an/an/an/a7.437



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM32658
PNG
(m-chlorobenzylamide, 7)
Show SMILES N[C@H](CC1CCCCC1)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C21H30ClN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h4,8-9,12,15,18-19H,1-3,5-7,10-11,13-14,23H2,(H,24,26)/t18-,19?/m1/s1
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100 -40.0n/an/an/an/an/a7.425



Philipps-University Marburg



Assay Description
Kinetic inhibition of human thrombin was determined photometrically at 405 nm using the chromogenic substrate Pefachrom tPa. Reactions were performed...


J Mol Biol 391: 552-64 (2009)


Article DOI: 10.1016/j.jmb.2009.06.016
BindingDB Entry DOI: 10.7270/Q2RV0M1Z
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM32655
PNG
(benzamidine- based compound, 4)
Show SMILES CC[C@@H](N)C(=O)N1CCCC1C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C17H25N5O2/c1-2-13(18)17(24)22-9-3-4-14(22)16(23)21-10-11-5-7-12(8-6-11)15(19)20/h5-8,13-14H,2-4,9-10,18H2,1H3,(H3,19,20)(H,21,23)/t13-,14?/m1/s1
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180 -38.5n/an/an/an/an/a7.425



Philipps-University Marburg



Assay Description
Kinetic inhibition of human thrombin was determined photometrically at 405 nm using the chromogenic substrate Pefachrom tPa. Reactions were performed...


J Mol Biol 391: 552-64 (2009)


Article DOI: 10.1016/j.jmb.2009.06.016
BindingDB Entry DOI: 10.7270/Q2RV0M1Z
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM32653
PNG
(m-chlorobenzylamide, 2)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C21H24ClN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h1-4,6-9,12,18-19H,5,10-11,13-14,23H2,(H,24,26)/t18-,19?/m1/s1
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180 -38.5n/an/an/an/an/a7.425



Philipps-University Marburg



Assay Description
Kinetic inhibition of human thrombin was determined photometrically at 405 nm using the chromogenic substrate Pefachrom tPa. Reactions were performed...


J Mol Biol 391: 552-64 (2009)


Article DOI: 10.1016/j.jmb.2009.06.016
BindingDB Entry DOI: 10.7270/Q2RV0M1Z
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13778
PNG
(2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H18N4O5/c24-23(25)14-4-5-19-15(9-14)11-20(26-19)18-7-12(8-21(28)29)6-17(22(18)30)13-2-1-3-16(10-13)27(31)32/h1-7,9-11,26,30H,8H2,(H3,24,25)(H,28,29)
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2.90E+3 -31.3n/an/an/an/an/a7.422



Celera



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 16: 2270-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.017
BindingDB Entry DOI: 10.7270/Q2RF5S8X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM32652
PNG
(m-chlorobenzylamide, 1)
Show SMILES CC[C@@H](N)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C16H22ClN3O2/c1-2-13(18)16(22)20-8-4-7-14(20)15(21)19-10-11-5-3-6-12(17)9-11/h3,5-6,9,13-14H,2,4,7-8,10,18H2,1H3,(H,19,21)/t13-,14?/m1/s1
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6.80E+3 -29.5n/an/an/an/an/a7.425



Philipps-University Marburg



Assay Description
Kinetic inhibition of human thrombin was determined photometrically at 405 nm using the chromogenic substrate Pefachrom tPa. Reactions were performed...


J Mol Biol 391: 552-64 (2009)


Article DOI: 10.1016/j.jmb.2009.06.016
BindingDB Entry DOI: 10.7270/Q2RV0M1Z
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM32659
PNG
(m-chlorobenzylamide, 8)
Show SMILES CC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C23H32ClN3O3/c1-16(28)26-20(14-17-7-3-2-4-8-17)23(30)27-12-6-11-21(27)22(29)25-15-18-9-5-10-19(24)13-18/h5,9-10,13,17,20-21H,2-4,6-8,11-12,14-15H2,1H3,(H,25,29)(H,26,28)/t20-,21?/m1/s1
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8.70E+3 -28.9n/an/an/an/an/a7.425



Philipps-University Marburg



Assay Description
Kinetic inhibition of human thrombin was determined photometrically at 405 nm using the chromogenic substrate Pefachrom tPa. Reactions were performed...


J Mol Biol 391: 552-64 (2009)


Article DOI: 10.1016/j.jmb.2009.06.016
BindingDB Entry DOI: 10.7270/Q2RV0M1Z
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14169
PNG
(4-Iodobenzo[b]thiophene-2-carboxamidine | APC-6860...)
Show SMILES NC(=[NH2+])c1cc2c(I)cccc2s1
Show InChI InChI=1S/C9H7IN2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H3,11,12)/p+1
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2.00E+4 -26.6n/an/an/an/an/a7.422



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Chem Biol 7: 299-312 (2000)


Article DOI: 10.1016/S1074-5521(00)00104-6
BindingDB Entry DOI: 10.7270/Q2NG4NWC
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13781
PNG
(2-(3-{5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl}-4-hyd...)
Show SMILES Nc1ccc2[nH]c(cc2n1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H16N4O5/c22-19-5-4-16-18(24-19)10-17(23-16)15-7-11(8-20(26)27)6-14(21(15)28)12-2-1-3-13(9-12)25(29)30/h1-7,9-10,23,28H,8H2,(H2,22,24)(H,26,27)
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4.40E+4 -24.6n/an/an/an/an/a7.422



Celera



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 16: 2270-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.017
BindingDB Entry DOI: 10.7270/Q2RF5S8X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14170
PNG
(APC-7377 | Benzo[b]thiophene-2-carboxamidine | [am...)
Show SMILES NC(=[NH2+])c1cc2ccccc2s1
Show InChI InChI=1S/C9H8N2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H3,10,11)/p+1
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5.80E+4 -23.9n/an/an/an/an/a7.422



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Chem Biol 7: 299-312 (2000)


Article DOI: 10.1016/S1074-5521(00)00104-6
BindingDB Entry DOI: 10.7270/Q2NG4NWC
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14864
PNG
(5-azaindole analog 2 | {[3-(2-hydroxy-3-{1H-pyrrol...)
Show SMILES NC(=O)NCc1cccc(c1)-c1cccc(-c2cc3cnccc3[nH]2)c1O
Show InChI InChI=1S/C21H18N4O2/c22-21(27)24-11-13-3-1-4-14(9-13)16-5-2-6-17(20(16)26)19-10-15-12-23-8-7-18(15)25-19/h1-10,12,25-26H,11H2,(H3,22,24,27)
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7.15E+4 -23.4n/an/an/an/an/a7.422



Celera



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 16: 3197-200 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.049
BindingDB Entry DOI: 10.7270/Q20P0X9Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14863
PNG
(({3-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-2...)
Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C22H20N6O3/c23-20(24)12-5-6-16-17(9-12)28-21(27-16)14-3-1-2-13(19(14)30)15-8-11(4-7-18(15)29)10-26-22(25)31/h1-9,29-30H,10H2,(H3,23,24)(H,27,28)(H3,25,26,31)
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9.00E+4 -22.9n/an/an/an/an/a7.422



Celera



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 16: 3197-200 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.049
BindingDB Entry DOI: 10.7270/Q20P0X9Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13776
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H17N5O5/c23-21(24)13-4-5-17-18(10-13)26-22(25-17)16-7-11(8-19(28)29)6-15(20(16)30)12-2-1-3-14(9-12)27(31)32/h1-7,9-10,30H,8H2,(H3,23,24)(H,25,26)(H,28,29)
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>1.50E+5>-21.6n/an/an/an/an/a7.422



Celera



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 16: 2270-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.017
BindingDB Entry DOI: 10.7270/Q2RF5S8X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13779
PNG
(2-[3-(1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(3-nitr...)
Show SMILES OC(=O)Cc1cc(-c2nc3ccccc3[nH]2)c(O)c(c1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H15N3O5/c25-19(26)10-12-8-15(13-4-3-5-14(11-13)24(28)29)20(27)16(9-12)21-22-17-6-1-2-7-18(17)23-21/h1-9,11,27H,10H2,(H,22,23)(H,25,26)
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>1.50E+5>-21.6n/an/an/an/an/a7.422



Celera



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 16: 2270-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.017
BindingDB Entry DOI: 10.7270/Q2RF5S8X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13780
PNG
(2-(3-{5-amino-1H-imidazo[4,5-b]pyridin-2-yl}-4-hyd...)
Show SMILES Nc1ccc2[nH]c(nc2n1)-c1cc(CC(O)=O)cc(-c2cccc(c2)[N+]([O-])=O)c1O
Show InChI InChI=1S/C20H15N5O5/c21-16-5-4-15-20(23-16)24-19(22-15)14-7-10(8-17(26)27)6-13(18(14)28)11-2-1-3-12(9-11)25(29)30/h1-7,9,28H,8H2,(H,26,27)(H3,21,22,23,24)
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>1.50E+5>-21.6n/an/an/an/an/a7.422



Celera



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 16: 2270-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.017
BindingDB Entry DOI: 10.7270/Q2RF5S8X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM772
PNG
(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Show SMILES NC(=[NH2+])c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1
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3.20E+5 -19.7n/an/an/an/an/a7.422



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Chem Biol 7: 299-312 (2000)


Article DOI: 10.1016/S1074-5521(00)00104-6
BindingDB Entry DOI: 10.7270/Q2NG4NWC
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14171
PNG
(APC-7538 | Thieno[2,3-b]pyridine-2-carboxamidine |...)
Show SMILES NC(=[NH2+])c1cc2cccnc2s1
Show InChI InChI=1S/C8H7N3S/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1-4H,(H3,9,10)/p+1
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1.60E+6 -15.8n/an/an/an/an/a7.422



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Chem Biol 7: 299-312 (2000)


Article DOI: 10.1016/S1074-5521(00)00104-6
BindingDB Entry DOI: 10.7270/Q2NG4NWC
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM29364
PNG
(proline scaffold, 13)
Show SMILES CNC(=O)[C@@H]1CCCN1C(=O)CC1(O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C21H22N2O3/c1-22-20(25)18-11-6-12-23(18)19(24)13-21(26)16-9-4-2-7-14(16)15-8-3-5-10-17(15)21/h2-5,7-10,18,26H,6,11-13H2,1H3,(H,22,25)/t18-/m0/s1
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n/an/a>4.00E+5>1.00E+6n/an/an/a7.437



University of Kalmar



Assay Description
SPR experiments where performed with a Biacore A100 using Series S sensor chip CM5 (GE Healthcare Bio-Sciences AB, Uppsala, Sweden). The proteins wer...


J Med Chem 52: 2708-15 (2009)


Article DOI: 10.1021/jm8011849
BindingDB Entry DOI: 10.7270/Q2H130B7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM29363
PNG
(proline scaffold, 12)
Show SMILES O=C(CC1CCCCC1)N1CCC[C@H]1C(=O)NCc1cccs1
Show InChI InChI=1S/C18H26N2O2S/c21-17(12-14-6-2-1-3-7-14)20-10-4-9-16(20)18(22)19-13-15-8-5-11-23-15/h5,8,11,14,16H,1-4,6-7,9-10,12-13H2,(H,19,22)/t16-/m0/s1
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n/an/a>4.00E+5 1.00E+6n/an/an/a7.437



University of Kalmar



Assay Description
SPR experiments where performed with a Biacore A100 using Series S sensor chip CM5 (GE Healthcare Bio-Sciences AB, Uppsala, Sweden). The proteins wer...


J Med Chem 52: 2708-15 (2009)


Article DOI: 10.1021/jm8011849
BindingDB Entry DOI: 10.7270/Q2H130B7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM29362
PNG
(proline scaffold, 11)
Show SMILES COCCNC(=O)[C@@H]1CCCN1C(=O)CC1CCCCC1
Show InChI InChI=1S/C16H28N2O3/c1-21-11-9-17-16(20)14-8-5-10-18(14)15(19)12-13-6-3-2-4-7-13/h13-14H,2-12H2,1H3,(H,17,20)/t14-/m0/s1
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n/an/a>4.00E+5>1.00E+6n/an/an/a7.437



University of Kalmar



Assay Description
SPR experiments where performed with a Biacore A100 using Series S sensor chip CM5 (GE Healthcare Bio-Sciences AB, Uppsala, Sweden). The proteins wer...


J Med Chem 52: 2708-15 (2009)


Article DOI: 10.1021/jm8011849
BindingDB Entry DOI: 10.7270/Q2H130B7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM29361
PNG
(proline scaffold, 10)
Show SMILES CCCNC(=O)[C@@H]1CCCN1C(=O)CC1CCCCC1
Show InChI InChI=1S/C16H28N2O2/c1-2-10-17-16(20)14-9-6-11-18(14)15(19)12-13-7-4-3-5-8-13/h13-14H,2-12H2,1H3,(H,17,20)/t14-/m0/s1
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n/an/a>4.00E+5>1.00E+6n/an/an/a7.437



University of Kalmar



Assay Description
SPR experiments where performed with a Biacore A100 using Series S sensor chip CM5 (GE Healthcare Bio-Sciences AB, Uppsala, Sweden). The proteins wer...


J Med Chem 52: 2708-15 (2009)


Article DOI: 10.1021/jm8011849
BindingDB Entry DOI: 10.7270/Q2H130B7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM29360
PNG
(proline scaffold, 9)
Show SMILES CNC(=O)[C@@H]1CCCN1C(=O)CC1CCCCC1
Show InChI InChI=1S/C14H24N2O2/c1-15-14(18)12-8-5-9-16(12)13(17)10-11-6-3-2-4-7-11/h11-12H,2-10H2,1H3,(H,15,18)/t12-/m0/s1
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n/an/a>4.00E+5>1.00E+6n/an/an/a7.437



University of Kalmar



Assay Description
SPR experiments where performed with a Biacore A100 using Series S sensor chip CM5 (GE Healthcare Bio-Sciences AB, Uppsala, Sweden). The proteins wer...


J Med Chem 52: 2708-15 (2009)


Article DOI: 10.1021/jm8011849
BindingDB Entry DOI: 10.7270/Q2H130B7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM29359
PNG
(proline scaffold, 8)
Show SMILES O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)NCc1cccs1
Show InChI InChI=1S/C25H26N2O2S/c28-24(17-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20)27-15-7-14-23(27)25(29)26-18-21-13-8-16-30-21/h1-6,8-13,16,22-23H,7,14-15,17-18H2,(H,26,29)/t23-/m0/s1
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n/an/a 1.20E+5 3.40E+4n/an/an/a7.437



University of Kalmar



Assay Description
SPR experiments where performed with a Biacore A100 using Series S sensor chip CM5 (GE Healthcare Bio-Sciences AB, Uppsala, Sweden). The proteins wer...


J Med Chem 52: 2708-15 (2009)


Article DOI: 10.1021/jm8011849
BindingDB Entry DOI: 10.7270/Q2H130B7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM29358
PNG
(proline scaffold, 7)
Show SMILES COCCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H28N2O3/c1-28-16-14-24-23(27)21-13-8-15-25(21)22(26)17-20(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,20-21H,8,13-17H2,1H3,(H,24,27)/t21-/m0/s1
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n/an/a>4.00E+5>1.00E+6n/an/an/a7.437



University of Kalmar



Assay Description
SPR experiments where performed with a Biacore A100 using Series S sensor chip CM5 (GE Healthcare Bio-Sciences AB, Uppsala, Sweden). The proteins wer...


J Med Chem 52: 2708-15 (2009)


Article DOI: 10.1021/jm8011849
BindingDB Entry DOI: 10.7270/Q2H130B7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM29357
PNG
(proline scaffold, 6)
Show SMILES CCCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H28N2O2/c1-2-15-24-23(27)21-14-9-16-25(21)22(26)17-20(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-21H,2,9,14-17H2,1H3,(H,24,27)/t21-/m0/s1
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n/an/a>4.00E+5 2.70E+5n/an/an/a7.437



University of Kalmar



Assay Description
SPR experiments where performed with a Biacore A100 using Series S sensor chip CM5 (GE Healthcare Bio-Sciences AB, Uppsala, Sweden). The proteins wer...


J Med Chem 52: 2708-15 (2009)


Article DOI: 10.1021/jm8011849
BindingDB Entry DOI: 10.7270/Q2H130B7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM29356
PNG
(proline scaffold, 5)
Show SMILES CNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H24N2O2/c1-22-21(25)19-13-8-14-23(19)20(24)15-18(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13-15H2,1H3,(H,22,25)/t19-/m0/s1
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n/an/a>4.00E+5>1.00E+6n/an/an/a7.437



University of Kalmar



Assay Description
SPR experiments where performed with a Biacore A100 using Series S sensor chip CM5 (GE Healthcare Bio-Sciences AB, Uppsala, Sweden). The proteins wer...


J Med Chem 52: 2708-15 (2009)


Article DOI: 10.1021/jm8011849
BindingDB Entry DOI: 10.7270/Q2H130B7
More data for this
Ligand-Target Pair
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