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Compile Data Set for Download or QSAR

Found 73 hits of kd for UniProtKB: P00734   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29379
PNG
(proline scaffold, 28)
Show SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cccs1 |r|
Show InChI InChI=1S/C25H27N3O2S/c26-23(22(18-9-3-1-4-10-18)19-11-5-2-6-12-19)25(30)28-15-7-14-21(28)24(29)27-17-20-13-8-16-31-20/h1-6,8-13,16,21-23H,7,14-15,17,26H2,(H,27,29)/t21-,23+/m0/s1
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n/an/a 1.60E+3 270n/an/an/an/an/a



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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29383
PNG
(proline scaffold, 32)
Show SMILES N[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cccs1 |r|
Show InChI InChI=1S/C18H27N3O2S/c19-16(13-6-2-1-3-7-13)18(23)21-10-4-9-15(21)17(22)20-12-14-8-5-11-24-14/h5,8,11,13,15-16H,1-4,6-7,9-10,12,19H2,(H,20,22)/t15-,16+/m0/s1
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n/an/a 4.20E+3 1.10E+3n/an/an/an/an/a



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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29375
PNG
(proline scaffold, 24)
Show SMILES N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)NCc1cccs1 |r|
Show InChI InChI=1S/C19H22ClN3O2S/c20-14-7-5-13(6-8-14)11-16(21)19(25)23-9-1-4-17(23)18(24)22-12-15-3-2-10-26-15/h2-3,5-8,10,16-17H,1,4,9,11-12,21H2,(H,22,24)/t16-,17+/m1/s1
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n/an/a 1.30E+4 2.20E+3n/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29377
PNG
(proline scaffold, 26)
Show SMILES CCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H29N3O2/c1-2-15-25-22(27)19-14-9-16-26(19)23(28)21(24)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-21H,2,9,14-16,24H2,1H3,(H,25,27)/t19-,21+/m0/s1
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n/an/a 1.80E+4 3.10E+3n/an/an/an/an/a



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
3D
3D Structure (crystal)
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29385
PNG
(proline scaffold, 34)
Show SMILES N[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCC1CCCCC1 |r|
Show InChI InChI=1S/C20H35N3O2/c21-18(16-10-5-2-6-11-16)20(25)23-13-7-12-17(23)19(24)22-14-15-8-3-1-4-9-15/h15-18H,1-14,21H2,(H,22,24)/t17-,18+/m0/s1
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n/an/a 2.00E+4 9.00E+3n/an/an/an/an/a



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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29367
PNG
(proline scaffold, 16)
Show SMILES OC1(CC(=O)N2CCC[C@H]2C(=O)NCc2cccs2)c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1S/C25H24N2O3S/c28-23(27-13-5-12-22(27)24(29)26-16-17-7-6-14-31-17)15-25(30)20-10-3-1-8-18(20)19-9-2-4-11-21(19)25/h1-4,6-11,14,22,30H,5,12-13,15-16H2,(H,26,29)/t22-/m0/s1
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n/an/a 4.90E+4 2.30E+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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29378
PNG
(proline scaffold, 27)
Show SMILES COCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H29N3O3/c1-29-16-14-25-22(27)19-13-8-15-26(19)23(28)21(24)20(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19-21H,8,13-16,24H2,1H3,(H,25,27)/t19-,21+/m0/s1
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n/an/a 8.90E+4 6.80E+3n/an/an/an/an/a



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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29381
PNG
(proline scaffold, 30)
Show SMILES CCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1 |r|
Show InChI InChI=1S/C16H29N3O2/c1-2-10-18-15(20)13-9-6-11-19(13)16(21)14(17)12-7-4-3-5-8-12/h12-14H,2-11,17H2,1H3,(H,18,20)/t13-,14+/m0/s1
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n/an/a 1.20E+5 2.70E+4n/an/an/an/an/a



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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29359
PNG
(proline scaffold, 8)
Show SMILES O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)NCc1cccs1 |r|
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29386
PNG
(proline scaffold, 35)
Show SMILES CNC(=O)[C@@H]1CCCN1C(=O)[C@H](NS(=O)(=O)Cc1ccccc1)C1CCCCC1 |r|
Show InChI InChI=1S/C21H31N3O4S/c1-22-20(25)18-13-8-14-24(18)21(26)19(17-11-6-3-7-12-17)23-29(27,28)15-16-9-4-2-5-10-16/h2,4-5,9-10,17-19,23H,3,6-8,11-15H2,1H3,(H,22,25)/t18-,19+/m0/s1
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n/an/a 1.70E+5 3.50E+4n/an/an/an/an/a



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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29373
PNG
(proline scaffold, 22)
Show SMILES CCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C17H24ClN3O2/c1-2-9-20-16(22)15-4-3-10-21(15)17(23)14(19)11-12-5-7-13(18)8-6-12/h5-8,14-15H,2-4,9-11,19H2,1H3,(H,20,22)/t14-,15+/m1/s1
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n/an/a 2.10E+5 4.50E+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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29384
PNG
(proline scaffold, 33)
Show SMILES CC(C)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1 |r|
Show InChI InChI=1S/C17H31N3O2/c1-12(2)11-19-16(21)14-9-6-10-20(14)17(22)15(18)13-7-4-3-5-8-13/h12-15H,3-11,18H2,1-2H3,(H,19,21)/t14-,15+/m0/s1
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n/an/a 2.30E+5 4.90E+4n/an/an/an/an/a



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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29376
PNG
(proline scaffold, 25)
Show SMILES CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C21H25N3O2/c1-23-20(25)17-13-8-14-24(17)21(26)19(22)18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17-19H,8,13-14,22H2,1H3,(H,23,25)/t17-,19+/m0/s1
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n/an/a 2.30E+5 3.80E+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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29365
PNG
(proline scaffold, 14)
Show SMILES CCCNC(=O)[C@@H]1CCCN1C(=O)CC1(O)c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1S/C23H26N2O3/c1-2-13-24-22(27)20-12-7-14-25(20)21(26)15-23(28)18-10-5-3-8-16(18)17-9-4-6-11-19(17)23/h3-6,8-11,20,28H,2,7,12-15H2,1H3,(H,24,27)/t20-/m0/s1
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n/an/a 3.80E+5 9.90E+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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29369
PNG
(proline scaffold, 18)
Show SMILES CCCNC(=O)[C@@H]1CCCN1C(=O)Cc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C17H22N2O4/c1-2-7-18-17(21)13-4-3-8-19(13)16(20)10-12-5-6-14-15(9-12)23-11-22-14/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H,18,21)/t13-/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29370
PNG
(proline scaffold, 19)
Show SMILES COCCNC(=O)[C@@H]1CCCN1C(=O)Cc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C17H22N2O5/c1-22-8-6-18-17(21)13-3-2-7-19(13)16(20)10-12-4-5-14-15(9-12)24-11-23-14/h4-5,9,13H,2-3,6-8,10-11H2,1H3,(H,18,21)/t13-/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29371
PNG
(proline scaffold, 20)
Show SMILES O=C(Cc1ccc2OCOc2c1)N1CCC[C@H]1C(=O)NCc1cccs1 |r|
Show InChI InChI=1S/C19H20N2O4S/c22-18(10-13-5-6-16-17(9-13)25-12-24-16)21-7-1-4-15(21)19(23)20-11-14-3-2-8-26-14/h2-3,5-6,8-9,15H,1,4,7,10-12H2,(H,20,23)/t15-/m0/s1
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n/an/a>4.00E+5 2.50E+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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29372
PNG
(proline scaffold, 21)
Show SMILES CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C15H20ClN3O2/c1-18-14(20)13-3-2-8-19(13)15(21)12(17)9-10-4-6-11(16)7-5-10/h4-7,12-13H,2-3,8-9,17H2,1H3,(H,18,20)/t12-,13+/m1/s1
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n/an/a>4.00E+5 5.50E+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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29374
PNG
(proline scaffold, 23)
Show SMILES COCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C17H24ClN3O3/c1-24-10-8-20-16(22)15-3-2-9-21(15)17(23)14(19)11-12-4-6-13(18)7-5-12/h4-7,14-15H,2-3,8-11,19H2,1H3,(H,20,22)/t14-,15+/m1/s1
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n/an/a>4.00E+5 1.40E+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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29380
PNG
(proline scaffold, 29)
Show SMILES CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1 |r|
Show InChI InChI=1S/C14H25N3O2/c1-16-13(18)11-8-5-9-17(11)14(19)12(15)10-6-3-2-4-7-10/h10-12H,2-9,15H2,1H3,(H,16,18)/t11-,12+/m0/s1
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n/an/a>4.00E+5 7.90E+5n/an/an/an/an/a



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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29382
PNG
(proline scaffold, 31)
Show SMILES COCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1 |r|
Show InChI InChI=1S/C16H29N3O3/c1-22-11-9-18-15(20)13-8-5-10-19(13)16(21)14(17)12-6-3-2-4-7-12/h12-14H,2-11,17H2,1H3,(H,18,20)/t13-,14+/m0/s1
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n/an/a>4.00E+5 1.10E+5n/an/an/an/an/a



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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29368
PNG
(proline scaffold, 17)
Show SMILES CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C15H18N2O4/c1-16-15(19)11-3-2-6-17(11)14(18)8-10-4-5-12-13(7-10)21-9-20-12/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,16,19)/t11-/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29366
PNG
(proline scaffold, 15)
Show SMILES COCCNC(=O)[C@@H]1CCCN1C(=O)CC1(O)c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1S/C23H26N2O4/c1-29-14-12-24-22(27)20-11-6-13-25(20)21(26)15-23(28)18-9-4-2-7-16(18)17-8-3-5-10-19(17)23/h2-5,7-10,20,28H,6,11-15H2,1H3,(H,24,27)/t20-/m0/s1
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n/an/a>4.00E+5 7.50E+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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29364
PNG
(proline scaffold, 13)
Show SMILES CNC(=O)[C@@H]1CCCN1C(=O)CC1(O)c2ccccc2-c2ccccc12 |r|
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29363
PNG
(proline scaffold, 12)
Show SMILES O=C(CC1CCCCC1)N1CCC[C@H]1C(=O)NCc1cccs1 |r|
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29362
PNG
(proline scaffold, 11)
Show SMILES COCCNC(=O)[C@@H]1CCCN1C(=O)CC1CCCCC1 |r|
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29361
PNG
(proline scaffold, 10)
Show SMILES CCCNC(=O)[C@@H]1CCCN1C(=O)CC1CCCCC1 |r|
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29360
PNG
(proline scaffold, 9)
Show SMILES CNC(=O)[C@@H]1CCCN1C(=O)CC1CCCCC1 |r|
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29358
PNG
(proline scaffold, 7)
Show SMILES COCCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1 |r|
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29357
PNG
(proline scaffold, 6)
Show SMILES CCCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1 |r|
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29356
PNG
(proline scaffold, 5)
Show SMILES CNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1 |r|
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29355
PNG
(proline scaffold, 4)
Show SMILES Clc1ccc(CCC(=O)N2CCC[C@H]2C(=O)NCc2cccs2)cc1 |r|
Show InChI InChI=1S/C19H21ClN2O2S/c20-15-8-5-14(6-9-15)7-10-18(23)22-11-1-4-17(22)19(24)21-13-16-3-2-12-25-16/h2-3,5-6,8-9,12,17H,1,4,7,10-11,13H2,(H,21,24)/t17-/m0/s1
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n/an/a>4.00E+5 7.00E+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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29354
PNG
(proline scaffold, 3)
Show SMILES COCCNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C17H23ClN2O3/c1-23-12-10-19-17(22)15-3-2-11-20(15)16(21)9-6-13-4-7-14(18)8-5-13/h4-5,7-8,15H,2-3,6,9-12H2,1H3,(H,19,22)/t15-/m0/s1
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n/an/a>4.00E+5 6.20E+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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29387
PNG
(proline scaffold, 36)
Show SMILES COCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C16H28N2O4/c1-22-11-9-17-15(20)13-8-5-10-18(13)16(21)14(19)12-6-3-2-4-7-12/h12-14,19H,2-11H2,1H3,(H,17,20)/t13-,14+/m0/s1
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n/an/a>4.00E+5>1.00E+6n/an/an/an/an/a



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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29352
PNG
(proline scaffold, 1)
Show SMILES CNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C15H19ClN2O2/c1-17-15(20)13-3-2-10-18(13)14(19)9-6-11-4-7-12(16)8-5-11/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H,17,20)/t13-/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29353
PNG
(proline scaffold, 2)
Show SMILES CCCNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C17H23ClN2O2/c1-2-11-19-17(22)15-4-3-12-20(15)16(21)10-7-13-5-8-14(18)9-6-13/h5-6,8-9,15H,2-4,7,10-12H2,1H3,(H,19,22)/t15-/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM23417
PNG
(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Show SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
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n/an/an/a 5.20n/an/an/an/an/a



University of Lodz

Curated by ChEMBL


Assay Description
Inhibition of human thrombin assessed as equilibrium dissociation constant at 50 to 1000 uM by BIAcore analysis


Med Chem Res 23: 2324-2337 (2014)


Article DOI: 10.1007/s00044-013-0829-4
BindingDB Entry DOI: 10.7270/Q2377B7W
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM23416
PNG
(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
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n/an/an/a 4.90n/an/an/an/an/a



University of Lodz

Curated by ChEMBL


Assay Description
Inhibition of human thrombin assessed as equilibrium dissociation constant at 50 to 1000 uM by BIAcore analysis


Med Chem Res 23: 2324-2337 (2014)


Article DOI: 10.1007/s00044-013-0829-4
BindingDB Entry DOI: 10.7270/Q2377B7W
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50005093
PNG
(CHEBI:3978 | CYANIN)
Show SMILES OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
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n/an/an/a 8.60n/an/an/an/an/a



University of Lodz

Curated by ChEMBL


Assay Description
Inhibition of human thrombin assessed as equilibrium dissociation constant at 50 to 1000 uM by BIAcore analysis


Med Chem Res 23: 2324-2337 (2014)


Article DOI: 10.1007/s00044-013-0829-4
BindingDB Entry DOI: 10.7270/Q2377B7W
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50442881
PNG
(SILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,22,24-30H,10H2,1H3/t20-,22?,24-,25-/m1/s1
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n/an/an/a 1.90n/an/an/an/an/a



University of Lodz

Curated by ChEMBL


Assay Description
Inhibition of human thrombin assessed as equilibrium dissociation constant at 50 to 1000 uM by BIAcore analysis


Med Chem Res 23: 2324-2337 (2014)


Article DOI: 10.1007/s00044-013-0829-4
BindingDB Entry DOI: 10.7270/Q2377B7W
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/an/a 3.90n/an/an/an/an/a



University of Lodz

Curated by ChEMBL


Assay Description
Inhibition of human thrombin assessed as equilibrium dissociation constant at 50 to 1000 uM by BIAcore analysis


Med Chem Res 23: 2324-2337 (2014)


Article DOI: 10.1007/s00044-013-0829-4
BindingDB Entry DOI: 10.7270/Q2377B7W
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50241503
PNG
(2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-Benzopy...)
Show SMILES Oc1cc2oc(c(O)cc2c(=[OH+])c1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6,16-17,19-20H/p+1
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n/an/an/a 7.80n/an/an/an/an/a



University of Lodz

Curated by ChEMBL


Assay Description
Inhibition of human thrombin assessed as equilibrium dissociation constant at 50 to 1000 uM by BIAcore analysis


Med Chem Res 23: 2324-2337 (2014)


Article DOI: 10.1007/s00044-013-0829-4
BindingDB Entry DOI: 10.7270/Q2377B7W
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50241050
PNG
(2-(6-fluoro-1H-indol-3-yl)ethanamine | 6-fluorotry...)
Show SMILES NCCc1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C10H11FN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3-4,12H2
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n/an/an/a 6.90E+6n/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Binding affinity to thrombin (unknown origin)


Eur J Med Chem 43: 1330-5 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.019
BindingDB Entry DOI: 10.7270/Q2SB45JZ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50115491
PNG
(CHEMBL3608988)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl |r|
Show InChI InChI=1/C21H23Cl2N3O2/c22-16-8-9-17(23)15(12-16)13-25-20(27)19-7-4-10-26(19)21(28)18(24)11-14-5-2-1-3-6-14/h1-3,5-6,8-9,12,18-19H,4,7,10-11,13,24H2,(H,25,27)/t18-,19-/s2
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n/an/an/a 270n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to thrombin (unknown origin) by direct isothermal titration colorimetry


J Med Chem 58: 6960-71 (2015)


BindingDB Entry DOI: 10.7270/Q26M38M6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50307871
PNG
((S)-1-((R)-2-aminobutanoyl)-N-(4-carbamimidoylbenz...)
Show SMILES CC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N |r|
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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n/an/an/a 110n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to thrombin (unknown origin) by direct isothermal titration colorimetry


J Med Chem 58: 6960-71 (2015)


BindingDB Entry DOI: 10.7270/Q26M38M6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50115492
PNG
(CHEMBL3608989)
Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1 |r|
Show InChI InChI=1/C26H29N5O4S/c27-25(28)22-13-11-20(12-14-22)16-29-24(32)17-30-26(33)23(15-19-7-3-1-4-8-19)31-36(34,35)18-21-9-5-2-6-10-21/h1-14,23,31H,15-18H2,(H3,27,28)(H,29,32)(H,30,33)/t23-/s2
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n/an/an/a 160n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to thrombin (unknown origin) by direct isothermal titration colorimetry


J Med Chem 58: 6960-71 (2015)


BindingDB Entry DOI: 10.7270/Q26M38M6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50115489
PNG
(CHEMBL1571193)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccccn1
Show InChI InChI=1S/C13H12N2O2/c1-17-11-7-5-10(6-8-11)13(16)15-12-4-2-3-9-14-12/h2-9H,1H3,(H,14,15,16)
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n/an/an/a 1.00E+6n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to thrombin (unknown origin) by direct isothermal titration colorimetry


J Med Chem 58: 6960-71 (2015)


BindingDB Entry DOI: 10.7270/Q26M38M6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50115490
PNG
(CHEMBL3608990)
Show SMILES NC(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C5H4ClNOS/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H2,7,8)
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n/an/an/a 4.75E+5n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to thrombin (unknown origin) by direct isothermal titration colorimetry


J Med Chem 58: 6960-71 (2015)


BindingDB Entry DOI: 10.7270/Q26M38M6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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n/an/an/a 3.55E+5n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to thrombin (unknown origin) by direct isothermal titration colorimetry


J Med Chem 58: 6960-71 (2015)


BindingDB Entry DOI: 10.7270/Q26M38M6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50037981
PNG
(CHEMBL103102 | CHEMBL216318 | Piperidine-1-carboxa...)
Show SMILES NC(=N)N1CCCCC1
Show InChI InChI=1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8)
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n/an/an/a 1.07E+5n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to thrombin (unknown origin) by direct isothermal titration colorimetry


J Med Chem 58: 6960-71 (2015)


BindingDB Entry DOI: 10.7270/Q26M38M6
More data for this
Ligand-Target Pair
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