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Compile Data Set for Download or QSAR

Found 103 hits Enz. Inhib. hit(s) with all data for entry = 50008108   
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))
BDBM50215570
PNG
(CHEMBL2372732)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-c1cc(-[#8])ccc1-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C34H50N8O8/c1-3-20(2)28(42-30(46)24(12-7-8-16-35)39-29(45)23-19-22(43)14-15-27(23)44)32(48)41-26(18-21-10-5-4-6-11-21)31(47)40-25(33(49)50)13-9-17-38-34(36)37/h4-6,10-11,14-15,19-20,24-26,28,43-44H,3,7-9,12-13,16-18,35H2,1-2H3,(H,39,45)(H,40,47)(H,41,48)(H,42,46)(H,49,50)(H4,36,37,38)/t20-,24-,25-,26-,28-/m0/s1
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n/an/a 1.90E+3n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070747
PNG
(CHEMBL2372735 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C34H50N6O8/c1-3-21(2)29(40-31(44)25(13-7-9-17-35)37-30(43)24-20-23(41)15-16-28(24)42)33(46)39-27(19-22-11-5-4-6-12-22)32(45)38-26(34(47)48)14-8-10-18-36/h4-6,11-12,15-16,20-21,25-27,29,41-42H,3,7-10,13-14,17-19,35-36H2,1-2H3,(H,37,43)(H,38,45)(H,39,46)(H,40,44)(H,47,48)/t21?,25-,26-,27-,29-/m0/s1
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n/an/a 2.50E+3n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070757
PNG
(CHEMBL2372733 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C31H43N5O8/c1-4-18(2)26(30(42)35-24(16-20-10-6-5-7-11-20)29(41)33-19(3)31(43)44)36-28(40)23(12-8-9-15-32)34-27(39)22-17-21(37)13-14-25(22)38/h5-7,10-11,13-14,17-19,23-24,26,37-38H,4,8-9,12,15-16,32H2,1-3H3,(H,33,41)(H,34,39)(H,35,42)(H,36,40)(H,43,44)/t18?,19-,23+,24+,26+/m1/s1
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n/an/a 5.80E+3n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070767
PNG
(CHEMBL2372663 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C33H46N6O9/c1-3-19(2)28(39-30(44)23(11-7-8-16-34)36-29(43)22-18-21(40)12-14-26(22)41)32(46)38-25(17-20-9-5-4-6-10-20)31(45)37-24(33(47)48)13-15-27(35)42/h4-6,9-10,12,14,18-19,23-25,28,40-41H,3,7-8,11,13,15-17,34H2,1-2H3,(H2,35,42)(H,36,43)(H,37,45)(H,38,46)(H,39,44)(H,47,48)/t19?,23-,24-,25-,28-/m0/s1
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n/an/a 6.40E+3n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070713
PNG
(CHEMBL2372657 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C33H47N5O8S/c1-4-20(2)28(38-30(42)24(12-8-9-16-34)35-29(41)23-19-22(39)13-14-27(23)40)32(44)37-26(18-21-10-6-5-7-11-21)31(43)36-25(33(45)46)15-17-47-3/h5-7,10-11,13-14,19-20,24-26,28,39-40H,4,8-9,12,15-18,34H2,1-3H3,(H,35,41)(H,36,43)(H,37,44)(H,38,42)(H,45,46)/t20?,24-,25-,26-,28-/m0/s1
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n/an/a 7.00E+3n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070730
PNG
(CHEMBL2372736 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C34H49N5O8/c1-5-21(4)29(39-31(43)25(13-9-10-16-35)36-30(42)24-19-23(40)14-15-28(24)41)33(45)37-26(18-22-11-7-6-8-12-22)32(44)38-27(34(46)47)17-20(2)3/h6-8,11-12,14-15,19-21,25-27,29,40-41H,5,9-10,13,16-18,35H2,1-4H3,(H,36,42)(H,37,45)(H,38,44)(H,39,43)(H,46,47)/t21?,25-,26-,27+,29-/m0/s1
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n/an/a 9.00E+3n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070681
PNG
(CHEMBL2372666 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC(O)=O
Show InChI InChI=1S/C32H45N5O8/c1-3-20(2)28(32(45)36-25(18-21-10-5-4-6-11-21)30(43)34-17-9-13-27(40)41)37-31(44)24(12-7-8-16-33)35-29(42)23-19-22(38)14-15-26(23)39/h4-6,10-11,14-15,19-20,24-25,28,38-39H,3,7-9,12-13,16-18,33H2,1-2H3,(H,34,43)(H,35,42)(H,36,45)(H,37,44)(H,40,41)/t20?,24-,25-,28-/m0/s1
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n/an/a 1.10E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070774
PNG
(CHEMBL2372697 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCC(O)=O
Show InChI InChI=1S/C34H49N5O8/c1-3-22(2)30(39-33(46)26(14-9-10-18-35)37-31(44)25-21-24(40)16-17-28(25)41)34(47)38-27(20-23-12-6-4-7-13-23)32(45)36-19-11-5-8-15-29(42)43/h4,6-7,12-13,16-17,21-22,26-27,30,40-41H,3,5,8-11,14-15,18-20,35H2,1-2H3,(H,36,45)(H,37,44)(H,38,47)(H,39,46)(H,42,43)/t22?,26-,27-,30-/m0/s1
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n/an/a 1.30E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070704
PNG
(CHEMBL2372686 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O
Show InChI InChI=1S/C34H45N7O8/c1-3-20(2)29(41-31(45)25(11-7-8-14-35)38-30(44)24-17-23(42)12-13-28(24)43)33(47)39-26(15-21-9-5-4-6-10-21)32(46)40-27(34(48)49)16-22-18-36-19-37-22/h4-6,9-10,12-13,17-20,25-27,29,42-43H,3,7-8,11,14-16,35H2,1-2H3,(H,36,37)(H,38,44)(H,39,47)(H,40,46)(H,41,45)(H,48,49)/t20?,25-,26-,27-,29-/m0/s1
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n/an/a 1.30E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070729
PNG
(CHEMBL2372758 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC)C(O)=O
Show InChI InChI=1S/C32H45N5O8/c1-4-19(3)27(31(43)36-25(17-20-11-7-6-8-12-20)30(42)34-23(5-2)32(44)45)37-29(41)24(13-9-10-16-33)35-28(40)22-18-21(38)14-15-26(22)39/h6-8,11-12,14-15,18-19,23-25,27,38-39H,4-5,9-10,13,16-17,33H2,1-3H3,(H,34,42)(H,35,40)(H,36,43)(H,37,41)(H,44,45)/t19?,23-,24+,25+,27+/m1/s1
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n/an/a 1.40E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070726
PNG
(CHEMBL2372710 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C31H43N5O9/c1-3-18(2)26(30(43)34-23(15-19-9-5-4-6-10-19)29(42)35-24(17-37)31(44)45)36-28(41)22(11-7-8-14-32)33-27(40)21-16-20(38)12-13-25(21)39/h4-6,9-10,12-13,16,18,22-24,26,37-39H,3,7-8,11,14-15,17,32H2,1-2H3,(H,33,40)(H,34,43)(H,35,42)(H,36,41)(H,44,45)/t18?,22-,23-,24-,26-/m0/s1
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n/an/a 1.50E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070753
PNG
(CHEMBL2372726 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C32H45N5O9/c1-4-18(2)26(36-29(42)23(12-8-9-15-33)34-28(41)22-17-21(39)13-14-25(22)40)31(44)35-24(16-20-10-6-5-7-11-20)30(43)37-27(19(3)38)32(45)46/h5-7,10-11,13-14,17-19,23-24,26-27,38-40H,4,8-9,12,15-16,33H2,1-3H3,(H,34,41)(H,35,44)(H,36,42)(H,37,43)(H,45,46)/t18?,19?,23-,24-,26-,27-/m0/s1
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n/an/a 1.70E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070687
PNG
(CHEMBL2372687 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C30H41N5O8/c1-3-18(2)26(30(43)34-23(28(41)32-17-25(38)39)15-19-9-5-4-6-10-19)35-29(42)22(11-7-8-14-31)33-27(40)21-16-20(36)12-13-24(21)37/h4-6,9-10,12-13,16,18,22-23,26,36-37H,3,7-8,11,14-15,17,31H2,1-2H3,(H,32,41)(H,33,40)(H,34,43)(H,35,42)(H,38,39)/t18?,22-,23-,26-/m0/s1
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n/an/a 2.00E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070765
PNG
(CHEMBL2372665 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C32H44N6O9/c1-3-18(2)27(38-29(43)22(11-7-8-14-33)35-28(42)21-16-20(39)12-13-25(21)40)31(45)36-23(15-19-9-5-4-6-10-19)30(44)37-24(32(46)47)17-26(34)41/h4-6,9-10,12-13,16,18,22-24,27,39-40H,3,7-8,11,14-15,17,33H2,1-2H3,(H2,34,41)(H,35,42)(H,36,45)(H,37,44)(H,38,43)(H,46,47)/t18?,22-,23-,24-,27-/m0/s1
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n/an/a 2.10E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070703
PNG
(CHEMBL2372674 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC)C(O)=O
Show InChI InChI=1S/C32H45N5O8/c1-4-19(3)27(31(43)36-25(17-20-11-7-6-8-12-20)30(42)34-23(5-2)32(44)45)37-29(41)24(13-9-10-16-33)35-28(40)22-18-21(38)14-15-26(22)39/h6-8,11-12,14-15,18-19,23-25,27,38-39H,4-5,9-10,13,16-17,33H2,1-3H3,(H,34,42)(H,35,40)(H,36,43)(H,37,41)(H,44,45)/t19?,23?,24-,25-,27-/m0/s1
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n/an/a 2.10E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070703
PNG
(CHEMBL2372674 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC)C(O)=O
Show InChI InChI=1S/C32H45N5O8/c1-4-19(3)27(31(43)36-25(17-20-11-7-6-8-12-20)30(42)34-23(5-2)32(44)45)37-29(41)24(13-9-10-16-33)35-28(40)22-18-21(38)14-15-26(22)39/h6-8,11-12,14-15,18-19,23-25,27,38-39H,4-5,9-10,13,16-17,33H2,1-3H3,(H,34,42)(H,35,40)(H,36,43)(H,37,41)(H,44,45)/t19?,23?,24-,25-,27-/m0/s1
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n/an/a 2.10E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070739
PNG
(CHEMBL2372753 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@H](C)C(=O)N[C@@H](CC)C(O)=O
Show InChI InChI=1S/C29H48N6O8/c1-4-17(3)24(28(41)34-21(10-6-8-14-30)26(39)32-20(5-2)29(42)43)35-27(40)22(11-7-9-15-31)33-25(38)19-16-18(36)12-13-23(19)37/h12-13,16-17,20-22,24,36-37H,4-11,14-15,30-31H2,1-3H3,(H,32,39)(H,33,38)(H,34,41)(H,35,40)(H,42,43)/t17?,20?,21-,22-,24-/m0/s1
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n/an/a 2.50E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070739
PNG
(CHEMBL2372753 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@H](C)C(=O)N[C@@H](CC)C(O)=O
Show InChI InChI=1S/C29H48N6O8/c1-4-17(3)24(28(41)34-21(10-6-8-14-30)26(39)32-20(5-2)29(42)43)35-27(40)22(11-7-9-15-31)33-25(38)19-16-18(36)12-13-23(19)37/h12-13,16-17,20-22,24,36-37H,4-11,14-15,30-31H2,1-3H3,(H,32,39)(H,33,38)(H,34,41)(H,35,40)(H,42,43)/t17?,20?,21-,22-,24-/m0/s1
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n/an/a 2.50E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070699
PNG
(CHEMBL2372723 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC)C(O)=O
Show InChI InChI=1S/C32H45N5O9/c1-4-18(3)27(37-29(42)24(8-6-7-15-33)35-28(41)22-17-21(39)13-14-26(22)40)31(44)36-25(16-19-9-11-20(38)12-10-19)30(43)34-23(5-2)32(45)46/h9-14,17-18,23-25,27,38-40H,4-8,15-16,33H2,1-3H3,(H,34,43)(H,35,41)(H,36,44)(H,37,42)(H,45,46)/t18?,23?,24-,25-,27-/m0/s1
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n/an/a 2.50E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215703
PNG
(CHEMBL2372746)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-c1cc(-[#8])ccc1-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6])-[#6](-[#8])=O
Show InChI InChI=1S/C29H48N8O8/c1-4-16(3)23(27(43)36-21(10-8-14-33-29(31)32)25(41)34-19(5-2)28(44)45)37-26(42)20(9-6-7-13-30)35-24(40)18-15-17(38)11-12-22(18)39/h11-12,15-16,19-21,23,38-39H,4-10,13-14,30H2,1-3H3,(H,34,41)(H,35,40)(H,36,43)(H,37,42)(H,44,45)(H4,31,32,33)/t16-,19-,20-,21-,23-/m0/s1
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n/an/a 2.60E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070761
PNG
(CHEMBL2372656 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C37H47N5O8/c1-3-23(2)32(42-34(46)28(16-10-11-19-38)39-33(45)27-22-26(43)17-18-31(27)44)36(48)40-29(20-24-12-6-4-7-13-24)35(47)41-30(37(49)50)21-25-14-8-5-9-15-25/h4-9,12-15,17-18,22-23,28-30,32,43-44H,3,10-11,16,19-21,38H2,1-2H3,(H,39,45)(H,40,48)(H,41,47)(H,42,46)(H,49,50)/t23?,28-,29-,30-,32-/m0/s1
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n/an/a 2.70E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070776
PNG
(CHEMBL2372751 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C31H43N5O8/c1-3-19(2)27(31(44)35-24(17-20-9-5-4-6-10-20)29(42)33-16-14-26(39)40)36-30(43)23(11-7-8-15-32)34-28(41)22-18-21(37)12-13-25(22)38/h4-6,9-10,12-13,18-19,23-24,27,37-38H,3,7-8,11,14-17,32H2,1-2H3,(H,33,42)(H,34,41)(H,35,44)(H,36,43)(H,39,40)/t19?,23-,24-,27-/m0/s1
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n/an/a 2.90E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070770
PNG
(CHEMBL2372684 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C33H47N5O8/c1-5-20(4)28(38-30(42)24(13-9-10-16-34)35-29(41)23-18-22(39)14-15-26(23)40)32(44)36-25(17-21-11-7-6-8-12-21)31(43)37-27(19(2)3)33(45)46/h6-8,11-12,14-15,18-20,24-25,27-28,39-40H,5,9-10,13,16-17,34H2,1-4H3,(H,35,41)(H,36,44)(H,37,43)(H,38,42)(H,45,46)/t20?,24-,25-,27-,28-/m0/s1
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n/an/a 3.10E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070717
PNG
(CHEMBL2372685 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C37H47N5O9/c1-3-22(2)32(42-34(47)28(11-7-8-18-38)39-33(46)27-21-26(44)16-17-31(27)45)36(49)40-29(19-23-9-5-4-6-10-23)35(48)41-30(37(50)51)20-24-12-14-25(43)15-13-24/h4-6,9-10,12-17,21-22,28-30,32,43-45H,3,7-8,11,18-20,38H2,1-2H3,(H,39,46)(H,40,49)(H,41,48)(H,42,47)(H,50,51)/t22?,28-,29-,30-,32-/m0/s1
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n/an/a 3.80E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070768
PNG
(CHEMBL2372737 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)[C@@H](C)CC)C(O)=O
Show InChI InChI=1S/C34H49N5O8/c1-5-20(3)28(38-31(43)25(14-10-11-17-35)36-30(42)24-19-23(40)15-16-27(24)41)33(45)37-26(18-22-12-8-7-9-13-22)32(44)39-29(34(46)47)21(4)6-2/h7-9,12-13,15-16,19-21,25-26,28-29,40-41H,5-6,10-11,14,17-18,35H2,1-4H3,(H,36,42)(H,37,45)(H,38,43)(H,39,44)(H,46,47)/t20?,21?,25-,26-,28-,29-/m0/s1
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n/an/a 4.20E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070744
PNG
(CHEMBL2372725 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C39H48N6O8/c1-3-23(2)34(45-36(49)30(15-9-10-18-40)42-35(48)28-21-26(46)16-17-33(28)47)38(51)43-31(19-24-11-5-4-6-12-24)37(50)44-32(39(52)53)20-25-22-41-29-14-8-7-13-27(25)29/h4-8,11-14,16-17,21-23,30-32,34,41,46-47H,3,9-10,15,18-20,40H2,1-2H3,(H,42,48)(H,43,51)(H,44,50)(H,45,49)(H,52,53)/t23?,30-,31-,32-,34-/m0/s1
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n/an/a 4.30E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070758
PNG
(CHEMBL2372724 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC)C(O)=O
Show InChI InChI=1S/C34H46N6O8/c1-4-19(3)29(40-31(44)26(12-8-9-15-35)38-30(43)23-17-21(41)13-14-28(23)42)33(46)39-27(32(45)37-24(5-2)34(47)48)16-20-18-36-25-11-7-6-10-22(20)25/h6-7,10-11,13-14,17-19,24,26-27,29,36,41-42H,4-5,8-9,12,15-16,35H2,1-3H3,(H,37,45)(H,38,43)(H,39,46)(H,40,44)(H,47,48)/t19?,24?,26-,27-,29-/m0/s1
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n/an/a 4.40E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070777
PNG
(CHEMBL2372695 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CC)C(O)=O
Show InChI InChI=1S/C29H47N5O8/c1-6-17(5)24(28(40)33-22(14-16(3)4)27(39)31-20(7-2)29(41)42)34-26(38)21(10-8-9-13-30)32-25(37)19-15-18(35)11-12-23(19)36/h11-12,15-17,20-22,24,35-36H,6-10,13-14,30H2,1-5H3,(H,31,39)(H,32,37)(H,33,40)(H,34,38)(H,41,42)/t17?,20?,21-,22+,24-/m0/s1
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n/an/a 4.60E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070738
PNG
(CHEMBL2372702 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC)C(O)=O
Show InChI InChI=1S/C28H45N5O8S/c1-5-16(3)23(27(39)32-21(12-14-42-4)25(37)30-19(6-2)28(40)41)33-26(38)20(9-7-8-13-29)31-24(36)18-15-17(34)10-11-22(18)35/h10-11,15-16,19-21,23,34-35H,5-9,12-14,29H2,1-4H3,(H,30,37)(H,31,36)(H,32,39)(H,33,38)(H,40,41)/t16?,19?,20-,21-,23-/m0/s1
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n/an/a 4.60E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070751
PNG
(CHEMBL289734 | Nazumamide A (NAZA) analogue)
Show SMILES CCC(C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)NC(CC)C(O)=O
Show InChI InChI=1S/C28H45N5O8S/c1-5-16(3)23(27(39)30-19(6-2)28(40)41)33-26(38)21(12-14-42-4)32-25(37)20(9-7-8-13-29)31-24(36)18-15-17(34)10-11-22(18)35/h10-11,15-16,19-21,23,34-35H,5-9,12-14,29H2,1-4H3,(H,30,39)(H,31,36)(H,32,37)(H,33,38)(H,40,41)/t16?,19?,20-,21-,23-/m0/s1
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n/an/a 4.90E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070705
PNG
(CHEMBL2372759 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C34H49N5O8/c1-5-21(4)29(39-31(43)25(13-9-10-16-35)36-30(42)24-19-23(40)14-15-28(24)41)33(45)37-26(18-22-11-7-6-8-12-22)32(44)38-27(34(46)47)17-20(2)3/h6-8,11-12,14-15,19-21,25-27,29,40-41H,5,9-10,13,16-18,35H2,1-4H3,(H,36,42)(H,37,45)(H,38,44)(H,39,43)(H,46,47)/t21?,25-,26-,27-,29-/m0/s1
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n/an/a 5.10E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215571
PNG
(Nazumamide A)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-c1cc(-[#8])ccc1-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6])-[#6](-[#8])=O
Show InChI InChI=1S/C28H43N7O8/c1-4-15(3)22(25(40)32-18(5-2)27(42)43)34-24(39)20-9-7-13-35(20)26(41)19(8-6-12-31-28(29)30)33-23(38)17-14-16(36)10-11-21(17)37/h10-11,14-15,18-20,22,36-37H,4-9,12-13H2,1-3H3,(H,32,40)(H,33,38)(H,34,39)(H,42,43)(H4,29,30,31)/t15-,18-,19-,20-,22-/m0/s1
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n/an/a 5.30E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070771
PNG
(CHEMBL2372696 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C(O)=O
Show InChI InChI=1S/C31H43N5O8/c1-4-18(2)26(30(42)35-24(16-20-10-6-5-7-11-20)29(41)33-19(3)31(43)44)36-28(40)23(12-8-9-15-32)34-27(39)22-17-21(37)13-14-25(22)38/h5-7,10-11,13-14,17-19,23-24,26,37-38H,4,8-9,12,15-16,32H2,1-3H3,(H,33,41)(H,34,39)(H,35,42)(H,36,40)(H,43,44)/t18?,19?,23-,24-,26-/m0/s1
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n/an/a 5.40E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070762
PNG
(CHEMBL2372731 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CC)C(O)=O
Show InChI InChI=1S/C28H43N5O10/c1-4-15(3)23(27(41)30-18(5-2)28(42)43)33-26(40)20(10-12-22(36)37)32-25(39)19(8-6-7-13-29)31-24(38)17-14-16(34)9-11-21(17)35/h9,11,14-15,18-20,23,34-35H,4-8,10,12-13,29H2,1-3H3,(H,30,41)(H,31,38)(H,32,39)(H,33,40)(H,36,37)(H,42,43)/t15?,18?,19-,20-,23-/m0/s1
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n/an/a 5.40E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070724
PNG
(CHEMBL2372703 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC)C(O)=O
Show InChI InChI=1S/C29H47N5O8/c1-6-16(4)23(27(39)31-20(8-3)29(41)42)34-28(40)24(17(5)7-2)33-26(38)21(11-9-10-14-30)32-25(37)19-15-18(35)12-13-22(19)36/h12-13,15-17,20-21,23-24,35-36H,6-11,14,30H2,1-5H3,(H,31,39)(H,32,37)(H,33,38)(H,34,40)(H,41,42)/t16?,17?,20?,21-,23-,24-/m0/s1
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n/an/a 6.80E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070764
PNG
(CHEMBL2372664 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C32H43N5O10/c1-3-18(2)27(37-29(43)22(11-7-8-14-33)34-28(42)21-16-20(38)12-13-25(21)39)31(45)35-23(15-19-9-5-4-6-10-19)30(44)36-24(32(46)47)17-26(40)41/h4-6,9-10,12-13,16,18,22-24,27,38-39H,3,7-8,11,14-15,17,33H2,1-2H3,(H,34,42)(H,35,45)(H,36,44)(H,37,43)(H,40,41)(H,46,47)/t18?,22-,23-,24-,27-/m0/s1
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n/an/a 6.90E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215571
PNG
(Nazumamide A)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-c1cc(-[#8])ccc1-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6])-[#6](-[#8])=O
Show InChI InChI=1S/C28H43N7O8/c1-4-15(3)22(25(40)32-18(5-2)27(42)43)34-24(39)20-9-7-13-35(20)26(41)19(8-6-12-31-28(29)30)33-23(38)17-14-16(36)10-11-21(17)37/h10-11,14-15,18-20,22,36-37H,4-9,12-13H2,1-3H3,(H,32,40)(H,33,38)(H,34,39)(H,42,43)(H4,29,30,31)/t15-,18-,19-,20-,22-/m0/s1
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n/an/a 7.20E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215571
PNG
(Nazumamide A)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-c1cc(-[#8])ccc1-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6])-[#6](-[#8])=O
Show InChI InChI=1S/C28H43N7O8/c1-4-15(3)22(25(40)32-18(5-2)27(42)43)34-24(39)20-9-7-13-35(20)26(41)19(8-6-12-31-28(29)30)33-23(38)17-14-16(36)10-11-21(17)37/h10-11,14-15,18-20,22,36-37H,4-9,12-13H2,1-3H3,(H,32,40)(H,33,38)(H,34,39)(H,42,43)(H4,29,30,31)/t15-,18-,19-,20-,22-/m0/s1
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n/an/a 7.20E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070734
PNG
(CHEMBL2372705 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC)C(O)=O
Show InChI InChI=1S/C28H44N6O9/c1-4-15(3)23(27(41)31-18(5-2)28(42)43)34-26(40)20(10-12-22(30)37)33-25(39)19(8-6-7-13-29)32-24(38)17-14-16(35)9-11-21(17)36/h9,11,14-15,18-20,23,35-36H,4-8,10,12-13,29H2,1-3H3,(H2,30,37)(H,31,41)(H,32,38)(H,33,39)(H,34,40)(H,42,43)/t15?,18?,19-,20-,23-/m0/s1
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n/an/a 8.20E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070707
PNG
((S)-5-Guanidino-2-(toluene-4-sulfonylamino)-pentan...)
Show SMILES COC(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C14H22N4O4S/c1-10-5-7-11(8-6-10)23(20,21)18-12(13(19)22-2)4-3-9-17-14(15)16/h5-8,12,18H,3-4,9H2,1-2H3,(H4,15,16,17)/t12-/m0/s1
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n/an/a 8.90E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070773
PNG
(CHEMBL2372738 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC)C(O)=O
Show InChI InChI=1S/C26H41N5O9/c1-4-14(3)21(25(38)30-19(13-32)24(37)28-17(5-2)26(39)40)31-23(36)18(8-6-7-11-27)29-22(35)16-12-15(33)9-10-20(16)34/h9-10,12,14,17-19,21,32-34H,4-8,11,13,27H2,1-3H3,(H,28,37)(H,29,35)(H,30,38)(H,31,36)(H,39,40)/t14?,17?,18-,19-,21-/m0/s1
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n/an/a 1.06E+5n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070745
PNG
(CHEMBL2372689 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC)C(O)=O
Show InChI InChI=1S/C29H43N7O8/c1-4-16(3)24(28(42)33-20(5-2)29(43)44)36-27(41)22(12-17-14-31-15-32-17)35-26(40)21(8-6-7-11-30)34-25(39)19-13-18(37)9-10-23(19)38/h9-10,13-16,20-22,24,37-38H,4-8,11-12,30H2,1-3H3,(H,31,32)(H,33,42)(H,34,39)(H,35,40)(H,36,41)(H,43,44)/t16?,20?,21-,22-,24-/m0/s1
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n/an/a 1.09E+5n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070741
PNG
(CHEMBL2372672 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC)C(O)=O
Show InChI InChI=1S/C29H47N5O8/c1-6-17(5)24(28(40)31-20(7-2)29(41)42)34-27(39)22(14-16(3)4)33-26(38)21(10-8-9-13-30)32-25(37)19-15-18(35)11-12-23(19)36/h11-12,15-17,20-22,24,35-36H,6-10,13-14,30H2,1-5H3,(H,31,40)(H,32,37)(H,33,38)(H,34,39)(H,41,42)/t17?,20?,21-,22+,24-/m0/s1
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n/an/a 1.37E+5n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070740
PNG
(CHEMBL2372701 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC)C(O)=O
Show InChI InChI=1S/C28H43N5O8/c1-4-16(3)23(27(39)33-14-8-10-21(33)26(38)30-19(5-2)28(40)41)32-25(37)20(9-6-7-13-29)31-24(36)18-15-17(34)11-12-22(18)35/h11-12,15-16,19-21,23,34-35H,4-10,13-14,29H2,1-3H3,(H,30,38)(H,31,36)(H,32,37)(H,40,41)/t16?,19?,20-,21-,23-/m0/s1
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n/an/a 1.60E+5n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070740
PNG
(CHEMBL2372701 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC)C(O)=O
Show InChI InChI=1S/C28H43N5O8/c1-4-16(3)23(27(39)33-14-8-10-21(33)26(38)30-19(5-2)28(40)41)32-25(37)20(9-6-7-13-29)31-24(36)18-15-17(34)11-12-22(18)35/h11-12,15-16,19-21,23,34-35H,4-10,13-14,29H2,1-3H3,(H,30,38)(H,31,36)(H,32,37)(H,40,41)/t16?,19?,20-,21-,23-/m0/s1
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n/an/a 1.60E+5n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070740
PNG
(CHEMBL2372701 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC)C(O)=O
Show InChI InChI=1S/C28H43N5O8/c1-4-16(3)23(27(39)33-14-8-10-21(33)26(38)30-19(5-2)28(40)41)32-25(37)20(9-6-7-13-29)31-24(36)18-15-17(34)11-12-22(18)35/h11-12,15-16,19-21,23,34-35H,4-10,13-14,29H2,1-3H3,(H,30,38)(H,31,36)(H,32,37)(H,40,41)/t16?,19?,20-,21-,23-/m0/s1
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n/an/a 1.60E+5n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070742
PNG
(CHEMBL2372740 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)NCCCCCC(=O)N[C@@H](CC)C(O)=O
Show InChI InChI=1S/C29H47N5O8/c1-4-18(3)25(28(40)31-16-10-6-7-12-24(37)32-21(5-2)29(41)42)34-27(39)22(11-8-9-15-30)33-26(38)20-17-19(35)13-14-23(20)36/h13-14,17-18,21-22,25,35-36H,4-12,15-16,30H2,1-3H3,(H,31,40)(H,32,37)(H,33,38)(H,34,39)(H,41,42)/t18?,21?,22-,25-/m0/s1
PDB

UniProtKB/SwissProt

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n/an/a 1.68E+5n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070695
PNG
(CHEMBL2372716 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CC)C(O)=O
Show InChI InChI=1S/C34H46N6O8/c1-4-19(3)29(33(46)37-24(5-2)34(47)48)40-32(45)27(16-20-18-36-25-11-7-6-10-22(20)25)39-31(44)26(12-8-9-15-35)38-30(43)23-17-21(41)13-14-28(23)42/h6-7,10-11,13-14,17-19,24,26-27,29,36,41-42H,4-5,8-9,12,15-16,35H2,1-3H3,(H,37,46)(H,38,43)(H,39,44)(H,40,45)(H,47,48)/t19?,24?,26-,27-,29-/m0/s1
PDB

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n/an/a 1.69E+5n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070716
PNG
(CHEMBL2372747 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC)C(O)=O
Show InChI InChI=1S/C29H48N6O8/c1-4-17(3)24(28(41)32-20(5-2)29(42)43)35-27(40)22(11-7-9-15-31)34-26(39)21(10-6-8-14-30)33-25(38)19-16-18(36)12-13-23(19)37/h12-13,16-17,20-22,24,36-37H,4-11,14-15,30-31H2,1-3H3,(H,32,41)(H,33,38)(H,34,39)(H,35,40)(H,42,43)/t17?,20?,21-,22-,24-/m0/s1
PDB

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n/an/a 1.83E+5n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50070708
PNG
(CHEMBL2372743 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC)C(O)=O
Show InChI InChI=1S/C26H41N5O8/c1-5-14(3)21(25(37)28-15(4)22(34)29-18(6-2)26(38)39)31-24(36)19(9-7-8-12-27)30-23(35)17-13-16(32)10-11-20(17)33/h10-11,13-15,18-19,21,32-33H,5-9,12,27H2,1-4H3,(H,28,37)(H,29,34)(H,30,35)(H,31,36)(H,38,39)/t14?,15-,18?,19-,21-/m0/s1
PDB

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PubMed
n/an/a 1.94E+5n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.


Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair
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