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Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50039596   
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
Plasma kallikrein


(Homo sapiens (Human))
BDBM50380619
PNG
(CHEMBL2016865)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-c1cccc(-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-c2ccccc2)-[#7]S(=O)(=O)[#6]-c2cccc(c2)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)-[#6](-[#7])=[#7])c1 |r|
Show InChI InChI=1S/C38H44N8O6S/c39-34(40)30-17-15-26(16-18-30)22-43-35(47)33(21-27-10-4-11-28(19-27)23-44-38(41)42)45-36(48)32(14-6-9-25-7-2-1-3-8-25)46-53(51,52)24-29-12-5-13-31(20-29)37(49)50/h1-5,7-8,10-13,15-20,32-33,46H,6,9,14,21-24H2,(H3,39,40)(H,43,47)(H,45,48)(H,49,50)(H4,41,42,44)/t32-,33+/m1/s1
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0.0750n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasma kallikrein by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50380619
PNG
(CHEMBL2016865)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-c1cccc(-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-c2ccccc2)-[#7]S(=O)(=O)[#6]-c2cccc(c2)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)-[#6](-[#7])=[#7])c1 |r|
Show InChI InChI=1S/C38H44N8O6S/c39-34(40)30-17-15-26(16-18-30)22-43-35(47)33(21-27-10-4-11-28(19-27)23-44-38(41)42)45-36(48)32(14-6-9-25-7-2-1-3-8-25)46-53(51,52)24-29-12-5-13-31(20-29)37(49)50/h1-5,7-8,10-13,15-20,32-33,46H,6,9,14,21-24H2,(H3,39,40)(H,43,47)(H,45,48)(H,49,50)(H4,41,42,44)/t32-,33+/m1/s1
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0.610n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of activated protein C by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50380617
PNG
(CHEMBL2016873)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4cccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)c4)nn3)cc1 |r|
Show InChI InChI=1S/C33H35N11O4S/c34-31(35)26-11-9-22(10-12-26)16-36-32(45)29-14-27-19-43(41-38-27)17-24-7-4-8-25(13-24)18-44-20-28(39-42-44)15-30(33(46)37-29)40-49(47,48)21-23-5-2-1-3-6-23/h1-13,19-20,29-30,40H,14-18,21H2,(H3,34,35)(H,36,45)(H,37,46)/t29-,30+/m0/s1
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0.770n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasmin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50380619
PNG
(CHEMBL2016865)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-c1cccc(-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-c2ccccc2)-[#7]S(=O)(=O)[#6]-c2cccc(c2)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)-[#6](-[#7])=[#7])c1 |r|
Show InChI InChI=1S/C38H44N8O6S/c39-34(40)30-17-15-26(16-18-30)22-43-35(47)33(21-27-10-4-11-28(19-27)23-44-38(41)42)45-36(48)32(14-6-9-25-7-2-1-3-8-25)46-53(51,52)24-29-12-5-13-31(20-29)37(49)50/h1-5,7-8,10-13,15-20,32-33,46H,6,9,14,21-24H2,(H3,39,40)(H,43,47)(H,45,48)(H,49,50)(H4,41,42,44)/t32-,33+/m1/s1
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0.810n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasmin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50380625
PNG
(CHEMBL2016872)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(OCCCCOc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r|
Show InChI InChI=1S/C37H41N5O6S/c38-35(39)30-14-8-28(9-15-30)24-40-36(43)33-22-26-10-16-31(17-11-26)47-20-4-5-21-48-32-18-12-27(13-19-32)23-34(37(44)41-33)42-49(45,46)25-29-6-2-1-3-7-29/h1-3,6-19,33-34,42H,4-5,20-25H2,(H3,38,39)(H,40,43)(H,41,44)/t33-,34+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasmin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50380623
PNG
(CHEMBL2016870)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(CNC(=O)Cc4cccc(CC(=O)NCc5cccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)c5)c4)c3)cc1 |r|
Show InChI InChI=1S/C45H47N7O6S/c46-43(47)38-17-15-30(16-18-38)26-50-44(55)39-22-32-9-5-13-36(20-32)27-48-41(53)24-34-11-4-12-35(19-34)25-42(54)49-28-37-14-6-10-33(21-37)23-40(45(56)51-39)52-59(57,58)29-31-7-2-1-3-8-31/h1-21,39-40,52H,22-29H2,(H3,46,47)(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t39-,40+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasmin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50380626
PNG
(CHEMBL2016874)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4cccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)n4)nn3)cc1 |r|
Show InChI InChI=1S/C32H34N12O4S/c33-30(34)23-11-9-21(10-12-23)15-35-31(45)28-13-26-18-43(41-38-26)16-24-7-4-8-25(36-24)17-44-19-27(39-42-44)14-29(32(46)37-28)40-49(47,48)20-22-5-2-1-3-6-22/h1-12,18-19,28-29,40H,13-17,20H2,(H3,33,34)(H,35,45)(H,37,46)/t28-,29+/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasmin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50380617
PNG
(CHEMBL2016873)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4cccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)c4)nn3)cc1 |r|
Show InChI InChI=1S/C33H35N11O4S/c34-31(35)26-11-9-22(10-12-26)16-36-32(45)29-14-27-19-43(41-38-27)17-24-7-4-8-25(13-24)18-44-20-28(39-42-44)15-30(33(46)37-29)40-49(47,48)21-23-5-2-1-3-6-23/h1-13,19-20,29-30,40H,14-18,21H2,(H3,34,35)(H,36,45)(H,37,46)/t29-,30+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasma kallikrein by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50380624
PNG
(CHEMBL2016871)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(OCC=CCOc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r|
Show InChI InChI=1S/C37H39N5O6S/c38-35(39)30-14-8-28(9-15-30)24-40-36(43)33-22-26-10-16-31(17-11-26)47-20-4-5-21-48-32-18-12-27(13-19-32)23-34(37(44)41-33)42-49(45,46)25-29-6-2-1-3-7-29/h1-19,33-34,42H,20-25H2,(H3,38,39)(H,40,43)(H,41,44)/t33-,34+/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasmin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50380629
PNG
(CHEMBL2016877)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]S([#6])(=O)=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C28H46N10O8S/c1-17(40)35-21(6-4-13-34-28(31)32)24(42)37-22(11-14-47(2,45)46)25(43)38-23(15-18-7-9-20(41)10-8-18)26(44)36-19(16-39)5-3-12-33-27(29)30/h7-10,16,19,21-23,41H,3-6,11-15H2,1-2H3,(H,35,40)(H,36,44)(H,37,42)(H,38,43)(H4,29,30,33)(H4,31,32,34)/t19-,21-,22-,23-/m0/s1
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3.08n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasmin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50380616
PNG
(CHEMBL2016869)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(CNC(=O)CN4CCN(CC4)CC(=O)NCc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)c3)cc1 |r,wU:11.10,wD:40.41,(10.73,-8.05,;9.41,-8.84,;9.42,-10.38,;8.06,-8.08,;6.74,-8.86,;5.4,-8.11,;5.39,-6.57,;4.05,-5.81,;4.03,-4.27,;2.69,-3.51,;1.36,-4.3,;2.68,-1.97,;4,-1.18,;3.98,.36,;2.63,1.11,;2.61,2.65,;3.94,3.43,;5.27,2.67,;6.6,3.46,;6.58,5,;7.91,5.78,;9.25,5.02,;7.89,7.32,;6.55,8.08,;5.22,7.29,;3.88,8.05,;3.87,9.59,;5.19,10.38,;6.53,9.62,;2.53,10.35,;1.21,9.57,;-.13,10.33,;1.22,8.03,;-.11,7.25,;-.09,5.71,;1.25,4.94,;1.26,3.4,;-.07,2.63,;-1.41,3.4,;-2.73,2.62,;-2.73,1.08,;-4.06,.3,;-5.39,1.07,;-6.17,2.41,;-4.63,2.41,;-6.72,.29,;-8.06,1.05,;-8.06,2.59,;-9.4,3.35,;-10.73,2.58,;-10.72,1.03,;-9.38,.27,;-1.39,.32,;-.06,1.09,;-1.38,-1.22,;-1.42,4.93,;5.3,1.14,;6.7,-5.78,;8.04,-6.53,)|
Show InChI InChI=1S/C43H51N9O6S/c44-41(45)36-14-12-30(13-15-36)24-48-42(55)37-22-32-8-4-10-34(20-32)25-46-39(53)27-51-16-18-52(19-17-51)28-40(54)47-26-35-11-5-9-33(21-35)23-38(43(56)49-37)50-59(57,58)29-31-6-2-1-3-7-31/h1-15,20-21,37-38,50H,16-19,22-29H2,(H3,44,45)(H,46,53)(H,47,54)(H,48,55)(H,49,56)/t37-,38+/m0/s1
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4.10n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasmin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50380620
PNG
(CHEMBL2016866)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCC(=O)NCc3cccc(CNC(=O)CC[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N2)c3)cc1 |r|
Show InChI InChI=1S/C33H39N7O6S/c34-31(35)26-11-9-22(10-12-26)18-38-32(43)27-13-15-29(41)36-19-24-7-4-8-25(17-24)20-37-30(42)16-14-28(33(44)39-27)40-47(45,46)21-23-5-2-1-3-6-23/h1-12,17,27-28,40H,13-16,18-21H2,(H3,34,35)(H,36,41)(H,37,42)(H,38,43)(H,39,44)/t27-,28+/m0/s1
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5.10n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of activated protein C by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50380618
PNG
(CHEMBL2016868)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(CNC(=O)Cc4ccc(CC(=O)NCc5cccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)c5)cc4)c3)cc1 |r|
Show InChI InChI=1S/C45H47N7O6S/c46-43(47)38-18-16-32(17-19-38)26-50-44(55)39-22-34-8-4-10-36(20-34)27-48-41(53)24-30-12-14-31(15-13-30)25-42(54)49-28-37-11-5-9-35(21-37)23-40(45(56)51-39)52-59(57,58)29-33-6-2-1-3-7-33/h1-21,39-40,52H,22-29H2,(H3,46,47)(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t39-,40+/m0/s1
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6.90n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasmin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50380616
PNG
(CHEMBL2016869)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(CNC(=O)CN4CCN(CC4)CC(=O)NCc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)c3)cc1 |r,wU:11.10,wD:40.41,(10.73,-8.05,;9.41,-8.84,;9.42,-10.38,;8.06,-8.08,;6.74,-8.86,;5.4,-8.11,;5.39,-6.57,;4.05,-5.81,;4.03,-4.27,;2.69,-3.51,;1.36,-4.3,;2.68,-1.97,;4,-1.18,;3.98,.36,;2.63,1.11,;2.61,2.65,;3.94,3.43,;5.27,2.67,;6.6,3.46,;6.58,5,;7.91,5.78,;9.25,5.02,;7.89,7.32,;6.55,8.08,;5.22,7.29,;3.88,8.05,;3.87,9.59,;5.19,10.38,;6.53,9.62,;2.53,10.35,;1.21,9.57,;-.13,10.33,;1.22,8.03,;-.11,7.25,;-.09,5.71,;1.25,4.94,;1.26,3.4,;-.07,2.63,;-1.41,3.4,;-2.73,2.62,;-2.73,1.08,;-4.06,.3,;-5.39,1.07,;-6.17,2.41,;-4.63,2.41,;-6.72,.29,;-8.06,1.05,;-8.06,2.59,;-9.4,3.35,;-10.73,2.58,;-10.72,1.03,;-9.38,.27,;-1.39,.32,;-.06,1.09,;-1.38,-1.22,;-1.42,4.93,;5.3,1.14,;6.7,-5.78,;8.04,-6.53,)|
Show InChI InChI=1S/C43H51N9O6S/c44-41(45)36-14-12-30(13-15-36)24-48-42(55)37-22-32-8-4-10-34(20-32)25-46-39(53)27-51-16-18-52(19-17-51)28-40(54)47-26-35-11-5-9-33(21-35)23-38(43(56)49-37)50-59(57,58)29-31-6-2-1-3-7-31/h1-15,20-21,37-38,50H,16-19,22-29H2,(H3,44,45)(H,46,53)(H,47,54)(H,48,55)(H,49,56)/t37-,38+/m0/s1
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7.20n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of thrombin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50380627
PNG
(CHEMBL2016875)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(CC4=CCC=C(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)N4O)nn3)cc1 |r,t:17,20|
Show InChI InChI=1S/C32H36N12O5S/c33-30(34)23-11-9-21(10-12-23)15-35-31(45)28-13-24-16-42(40-37-24)18-26-7-4-8-27(44(26)47)19-43-17-25(38-41-43)14-29(32(46)36-28)39-50(48,49)20-22-5-2-1-3-6-22/h1-3,5-12,16-17,28-29,39,47H,4,13-15,18-20H2,(H3,33,34)(H,35,45)(H,36,46)/t28-,29+/m0/s1
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8.90n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasmin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50380622
PNG
(CHEMBL2016867)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)CN4CCN(CC4)CC(=O)NCc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:11.10,wD:38.39,(24.36,-25.86,;24.33,-24.32,;25.66,-23.53,;22.99,-23.57,;21.66,-24.36,;20.32,-23.61,;20.31,-22.07,;18.96,-21.31,;18.94,-19.77,;17.6,-19.02,;16.28,-19.81,;17.58,-17.48,;18.91,-16.7,;18.89,-15.16,;17.55,-14.4,;17.54,-12.86,;18.87,-12.08,;18.86,-10.54,;17.52,-9.78,;17.5,-8.24,;18.83,-7.46,;16.16,-7.48,;14.84,-8.27,;14.85,-9.81,;13.52,-10.58,;12.18,-9.82,;12.17,-8.29,;13.49,-7.5,;10.85,-10.59,;9.51,-9.83,;9.5,-8.29,;8.19,-10.61,;8.2,-12.15,;9.53,-12.91,;10.87,-12.14,;12.2,-12.9,;12.2,-14.43,;13.54,-15.2,;13.55,-16.74,;12.22,-17.51,;12.23,-19.05,;13.71,-18.64,;13.32,-20.13,;10.9,-19.83,;10.9,-21.37,;9.58,-22.14,;9.58,-23.68,;10.92,-24.44,;12.26,-23.66,;12.24,-22.12,;14.89,-17.5,;14.89,-19.04,;16.22,-16.72,;10.88,-15.22,;9.55,-14.46,;20.21,-12.83,;20.22,-14.37,;21.62,-21.28,;22.97,-22.02,)|
Show InChI InChI=1S/C43H51N9O6S/c44-41(45)36-16-14-34(15-17-36)26-48-42(55)37-22-30-6-10-32(11-7-30)24-46-39(53)27-51-18-20-52(21-19-51)28-40(54)47-25-33-12-8-31(9-13-33)23-38(43(56)49-37)50-59(57,58)29-35-4-2-1-3-5-35/h1-17,37-38,50H,18-29H2,(H3,44,45)(H,46,53)(H,47,54)(H,48,55)(H,49,56)/t37-,38+/m0/s1
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9n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasmin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50380621
PNG
(CHEMBL2016864)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)Cc4ccc(CC(=O)NCc5ccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)cc5)cc4)cc3)cc1 |r|
Show InChI InChI=1S/C45H47N7O6S/c46-43(47)38-20-18-36(19-21-38)28-50-44(55)39-22-30-10-14-34(15-11-30)26-48-41(53)24-32-6-8-33(9-7-32)25-42(54)49-27-35-16-12-31(13-17-35)23-40(45(56)51-39)52-59(57,58)29-37-4-2-1-3-5-37/h1-21,39-40,52H,22-29H2,(H3,46,47)(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t39-,40+/m0/s1
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9.40n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasmin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50380624
PNG
(CHEMBL2016871)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(OCC=CCOc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r|
Show InChI InChI=1S/C37H39N5O6S/c38-35(39)30-14-8-28(9-15-30)24-40-36(43)33-22-26-10-16-31(17-11-26)47-20-4-5-21-48-32-18-12-27(13-19-32)23-34(37(44)41-33)42-49(45,46)25-29-6-2-1-3-7-29/h1-19,33-34,42H,20-25H2,(H3,38,39)(H,40,43)(H,41,44)/t33-,34+/m0/s1
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9.40n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasma kallikrein by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50380626
PNG
(CHEMBL2016874)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4cccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)n4)nn3)cc1 |r|
Show InChI InChI=1S/C32H34N12O4S/c33-30(34)23-11-9-21(10-12-23)15-35-31(45)28-13-26-18-43(41-38-26)16-24-7-4-8-25(36-24)17-44-19-27(39-42-44)14-29(32(46)37-28)40-49(47,48)20-22-5-2-1-3-6-22/h1-12,18-19,28-29,40H,13-17,20H2,(H3,33,34)(H,35,45)(H,37,46)/t28-,29+/m0/s1
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10.1n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasma kallikrein by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50380623
PNG
(CHEMBL2016870)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(CNC(=O)Cc4cccc(CC(=O)NCc5cccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)c5)c4)c3)cc1 |r|
Show InChI InChI=1S/C45H47N7O6S/c46-43(47)38-17-15-30(16-18-38)26-50-44(55)39-22-32-9-5-13-36(20-32)27-48-41(53)24-34-11-4-12-35(19-34)25-42(54)49-28-37-14-6-10-33(21-37)23-40(45(56)51-39)52-59(57,58)29-31-7-2-1-3-8-31/h1-21,39-40,52H,22-29H2,(H3,46,47)(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t39-,40+/m0/s1
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17.4n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasma kallikrein by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50380625
PNG
(CHEMBL2016872)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(OCCCCOc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r|
Show InChI InChI=1S/C37H41N5O6S/c38-35(39)30-14-8-28(9-15-30)24-40-36(43)33-22-26-10-16-31(17-11-26)47-20-4-5-21-48-32-18-12-27(13-19-32)23-34(37(44)41-33)42-49(45,46)25-29-6-2-1-3-7-29/h1-3,6-19,33-34,42H,4-5,20-25H2,(H3,38,39)(H,40,43)(H,41,44)/t33-,34+/m0/s1
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19n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasma kallikrein by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50380616
PNG
(CHEMBL2016869)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(CNC(=O)CN4CCN(CC4)CC(=O)NCc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)c3)cc1 |r,wU:11.10,wD:40.41,(10.73,-8.05,;9.41,-8.84,;9.42,-10.38,;8.06,-8.08,;6.74,-8.86,;5.4,-8.11,;5.39,-6.57,;4.05,-5.81,;4.03,-4.27,;2.69,-3.51,;1.36,-4.3,;2.68,-1.97,;4,-1.18,;3.98,.36,;2.63,1.11,;2.61,2.65,;3.94,3.43,;5.27,2.67,;6.6,3.46,;6.58,5,;7.91,5.78,;9.25,5.02,;7.89,7.32,;6.55,8.08,;5.22,7.29,;3.88,8.05,;3.87,9.59,;5.19,10.38,;6.53,9.62,;2.53,10.35,;1.21,9.57,;-.13,10.33,;1.22,8.03,;-.11,7.25,;-.09,5.71,;1.25,4.94,;1.26,3.4,;-.07,2.63,;-1.41,3.4,;-2.73,2.62,;-2.73,1.08,;-4.06,.3,;-5.39,1.07,;-6.17,2.41,;-4.63,2.41,;-6.72,.29,;-8.06,1.05,;-8.06,2.59,;-9.4,3.35,;-10.73,2.58,;-10.72,1.03,;-9.38,.27,;-1.39,.32,;-.06,1.09,;-1.38,-1.22,;-1.42,4.93,;5.3,1.14,;6.7,-5.78,;8.04,-6.53,)|
Show InChI InChI=1S/C43H51N9O6S/c44-41(45)36-14-12-30(13-15-36)24-48-42(55)37-22-32-8-4-10-34(20-32)25-46-39(53)27-51-16-18-52(19-17-51)28-40(54)47-26-35-11-5-9-33(21-35)23-38(43(56)49-37)50-59(57,58)29-31-6-2-1-3-7-31/h1-15,20-21,37-38,50H,16-19,22-29H2,(H3,44,45)(H,46,53)(H,47,54)(H,48,55)(H,49,56)/t37-,38+/m0/s1
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21n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of factor 10a by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50380616
PNG
(CHEMBL2016869)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(CNC(=O)CN4CCN(CC4)CC(=O)NCc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)c3)cc1 |r,wU:11.10,wD:40.41,(10.73,-8.05,;9.41,-8.84,;9.42,-10.38,;8.06,-8.08,;6.74,-8.86,;5.4,-8.11,;5.39,-6.57,;4.05,-5.81,;4.03,-4.27,;2.69,-3.51,;1.36,-4.3,;2.68,-1.97,;4,-1.18,;3.98,.36,;2.63,1.11,;2.61,2.65,;3.94,3.43,;5.27,2.67,;6.6,3.46,;6.58,5,;7.91,5.78,;9.25,5.02,;7.89,7.32,;6.55,8.08,;5.22,7.29,;3.88,8.05,;3.87,9.59,;5.19,10.38,;6.53,9.62,;2.53,10.35,;1.21,9.57,;-.13,10.33,;1.22,8.03,;-.11,7.25,;-.09,5.71,;1.25,4.94,;1.26,3.4,;-.07,2.63,;-1.41,3.4,;-2.73,2.62,;-2.73,1.08,;-4.06,.3,;-5.39,1.07,;-6.17,2.41,;-4.63,2.41,;-6.72,.29,;-8.06,1.05,;-8.06,2.59,;-9.4,3.35,;-10.73,2.58,;-10.72,1.03,;-9.38,.27,;-1.39,.32,;-.06,1.09,;-1.38,-1.22,;-1.42,4.93,;5.3,1.14,;6.7,-5.78,;8.04,-6.53,)|
Show InChI InChI=1S/C43H51N9O6S/c44-41(45)36-14-12-30(13-15-36)24-48-42(55)37-22-32-8-4-10-34(20-32)25-46-39(53)27-51-16-18-52(19-17-51)28-40(54)47-26-35-11-5-9-33(21-35)23-38(43(56)49-37)50-59(57,58)29-31-6-2-1-3-7-31/h1-15,20-21,37-38,50H,16-19,22-29H2,(H3,44,45)(H,46,53)(H,47,54)(H,48,55)(H,49,56)/t37-,38+/m0/s1
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25.3n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasma kallikrein by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50380620
PNG
(CHEMBL2016866)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCC(=O)NCc3cccc(CNC(=O)CC[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N2)c3)cc1 |r|
Show InChI InChI=1S/C33H39N7O6S/c34-31(35)26-11-9-22(10-12-26)18-38-32(43)27-13-15-29(41)36-19-24-7-4-8-25(17-24)20-37-30(42)16-14-28(33(44)39-27)40-47(45,46)21-23-5-2-1-3-6-23/h1-12,17,27-28,40H,13-16,18-21H2,(H3,34,35)(H,36,41)(H,37,42)(H,38,43)(H,39,44)/t27-,28+/m0/s1
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25.4n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasma kallikrein by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50380623
PNG
(CHEMBL2016870)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(CNC(=O)Cc4cccc(CC(=O)NCc5cccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)c5)c4)c3)cc1 |r|
Show InChI InChI=1S/C45H47N7O6S/c46-43(47)38-17-15-30(16-18-38)26-50-44(55)39-22-32-9-5-13-36(20-32)27-48-41(53)24-34-11-4-12-35(19-34)25-42(54)49-28-37-14-6-10-33(21-37)23-40(45(56)51-39)52-59(57,58)29-31-7-2-1-3-8-31/h1-21,39-40,52H,22-29H2,(H3,46,47)(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t39-,40+/m0/s1
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26.8n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of thrombin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50380619
PNG
(CHEMBL2016865)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-c1cccc(-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-c2ccccc2)-[#7]S(=O)(=O)[#6]-c2cccc(c2)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)-[#6](-[#7])=[#7])c1 |r|
Show InChI InChI=1S/C38H44N8O6S/c39-34(40)30-17-15-26(16-18-30)22-43-35(47)33(21-27-10-4-11-28(19-27)23-44-38(41)42)45-36(48)32(14-6-9-25-7-2-1-3-8-25)46-53(51,52)24-29-12-5-13-31(20-29)37(49)50/h1-5,7-8,10-13,15-20,32-33,46H,6,9,14,21-24H2,(H3,39,40)(H,43,47)(H,45,48)(H,49,50)(H4,41,42,44)/t32-,33+/m1/s1
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42n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of factor 10a by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50380623
PNG
(CHEMBL2016870)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(CNC(=O)Cc4cccc(CC(=O)NCc5cccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)c5)c4)c3)cc1 |r|
Show InChI InChI=1S/C45H47N7O6S/c46-43(47)38-17-15-30(16-18-38)26-50-44(55)39-22-32-9-5-13-36(20-32)27-48-41(53)24-34-11-4-12-35(19-34)25-42(54)49-28-37-14-6-10-33(21-37)23-40(45(56)51-39)52-59(57,58)29-31-7-2-1-3-8-31/h1-21,39-40,52H,22-29H2,(H3,46,47)(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t39-,40+/m0/s1
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42n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of factor 10a by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50380618
PNG
(CHEMBL2016868)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(CNC(=O)Cc4ccc(CC(=O)NCc5cccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)c5)cc4)c3)cc1 |r|
Show InChI InChI=1S/C45H47N7O6S/c46-43(47)38-18-16-32(17-19-38)26-50-44(55)39-22-34-8-4-10-36(20-34)27-48-41(53)24-30-12-14-31(15-13-30)25-42(54)49-28-37-11-5-9-35(21-37)23-40(45(56)51-39)52-59(57,58)29-33-6-2-1-3-7-33/h1-21,39-40,52H,22-29H2,(H3,46,47)(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t39-,40+/m0/s1
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45.4n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of thrombin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50380616
PNG
(CHEMBL2016869)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(CNC(=O)CN4CCN(CC4)CC(=O)NCc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)c3)cc1 |r,wU:11.10,wD:40.41,(10.73,-8.05,;9.41,-8.84,;9.42,-10.38,;8.06,-8.08,;6.74,-8.86,;5.4,-8.11,;5.39,-6.57,;4.05,-5.81,;4.03,-4.27,;2.69,-3.51,;1.36,-4.3,;2.68,-1.97,;4,-1.18,;3.98,.36,;2.63,1.11,;2.61,2.65,;3.94,3.43,;5.27,2.67,;6.6,3.46,;6.58,5,;7.91,5.78,;9.25,5.02,;7.89,7.32,;6.55,8.08,;5.22,7.29,;3.88,8.05,;3.87,9.59,;5.19,10.38,;6.53,9.62,;2.53,10.35,;1.21,9.57,;-.13,10.33,;1.22,8.03,;-.11,7.25,;-.09,5.71,;1.25,4.94,;1.26,3.4,;-.07,2.63,;-1.41,3.4,;-2.73,2.62,;-2.73,1.08,;-4.06,.3,;-5.39,1.07,;-6.17,2.41,;-4.63,2.41,;-6.72,.29,;-8.06,1.05,;-8.06,2.59,;-9.4,3.35,;-10.73,2.58,;-10.72,1.03,;-9.38,.27,;-1.39,.32,;-.06,1.09,;-1.38,-1.22,;-1.42,4.93,;5.3,1.14,;6.7,-5.78,;8.04,-6.53,)|
Show InChI InChI=1S/C43H51N9O6S/c44-41(45)36-14-12-30(13-15-36)24-48-42(55)37-22-32-8-4-10-34(20-32)25-46-39(53)27-51-16-18-52(19-17-51)28-40(54)47-26-35-11-5-9-33(21-35)23-38(43(56)49-37)50-59(57,58)29-31-6-2-1-3-7-31/h1-15,20-21,37-38,50H,16-19,22-29H2,(H3,44,45)(H,46,53)(H,47,54)(H,48,55)(H,49,56)/t37-,38+/m0/s1
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48n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of activated protein C by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50380627
PNG
(CHEMBL2016875)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(CC4=CCC=C(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)N4O)nn3)cc1 |r,t:17,20|
Show InChI InChI=1S/C32H36N12O5S/c33-30(34)23-11-9-21(10-12-23)15-35-31(45)28-13-24-16-42(40-37-24)18-26-7-4-8-27(44(26)47)19-43-17-25(38-41-43)14-29(32(46)36-28)39-50(48,49)20-22-5-2-1-3-6-22/h1-3,5-12,16-17,28-29,39,47H,4,13-15,18-20H2,(H3,33,34)(H,35,45)(H,36,46)/t28-,29+/m0/s1
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67n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasma kallikrein by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50380624
PNG
(CHEMBL2016871)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(OCC=CCOc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r|
Show InChI InChI=1S/C37H39N5O6S/c38-35(39)30-14-8-28(9-15-30)24-40-36(43)33-22-26-10-16-31(17-11-26)47-20-4-5-21-48-32-18-12-27(13-19-32)23-34(37(44)41-33)42-49(45,46)25-29-6-2-1-3-7-29/h1-19,33-34,42H,20-25H2,(H3,38,39)(H,40,43)(H,41,44)/t33-,34+/m0/s1
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90n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of activated protein C by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50380618
PNG
(CHEMBL2016868)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(CNC(=O)Cc4ccc(CC(=O)NCc5cccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)c5)cc4)c3)cc1 |r|
Show InChI InChI=1S/C45H47N7O6S/c46-43(47)38-18-16-32(17-19-38)26-50-44(55)39-22-34-8-4-10-36(20-34)27-48-41(53)24-30-12-14-31(15-13-30)25-42(54)49-28-37-11-5-9-35(21-37)23-40(45(56)51-39)52-59(57,58)29-33-6-2-1-3-7-33/h1-21,39-40,52H,22-29H2,(H3,46,47)(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t39-,40+/m0/s1
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136n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasma kallikrein by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50380624
PNG
(CHEMBL2016871)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(OCC=CCOc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r|
Show InChI InChI=1S/C37H39N5O6S/c38-35(39)30-14-8-28(9-15-30)24-40-36(43)33-22-26-10-16-31(17-11-26)47-20-4-5-21-48-32-18-12-27(13-19-32)23-34(37(44)41-33)42-49(45,46)25-29-6-2-1-3-7-29/h1-19,33-34,42H,20-25H2,(H3,38,39)(H,40,43)(H,41,44)/t33-,34+/m0/s1
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137n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of thrombin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50380618
PNG
(CHEMBL2016868)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(CNC(=O)Cc4ccc(CC(=O)NCc5cccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)c5)cc4)c3)cc1 |r|
Show InChI InChI=1S/C45H47N7O6S/c46-43(47)38-18-16-32(17-19-38)26-50-44(55)39-22-34-8-4-10-36(20-34)27-48-41(53)24-30-12-14-31(15-13-30)25-42(54)49-28-37-11-5-9-35(21-37)23-40(45(56)51-39)52-59(57,58)29-33-6-2-1-3-7-33/h1-21,39-40,52H,22-29H2,(H3,46,47)(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t39-,40+/m0/s1
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152n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of factor 10a by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50380617
PNG
(CHEMBL2016873)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4cccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)c4)nn3)cc1 |r|
Show InChI InChI=1S/C33H35N11O4S/c34-31(35)26-11-9-22(10-12-26)16-36-32(45)29-14-27-19-43(41-38-27)17-24-7-4-8-25(13-24)18-44-20-28(39-42-44)15-30(33(46)37-29)40-49(47,48)21-23-5-2-1-3-6-23/h1-13,19-20,29-30,40H,14-18,21H2,(H3,34,35)(H,36,45)(H,37,46)/t29-,30+/m0/s1
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206n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of factor 10a by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50380624
PNG
(CHEMBL2016871)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(OCC=CCOc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r|
Show InChI InChI=1S/C37H39N5O6S/c38-35(39)30-14-8-28(9-15-30)24-40-36(43)33-22-26-10-16-31(17-11-26)47-20-4-5-21-48-32-18-12-27(13-19-32)23-34(37(44)41-33)42-49(45,46)25-29-6-2-1-3-7-29/h1-19,33-34,42H,20-25H2,(H3,38,39)(H,40,43)(H,41,44)/t33-,34+/m0/s1
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220n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of factor 10a by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50380623
PNG
(CHEMBL2016870)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(CNC(=O)Cc4cccc(CC(=O)NCc5cccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)c5)c4)c3)cc1 |r|
Show InChI InChI=1S/C45H47N7O6S/c46-43(47)38-17-15-30(16-18-38)26-50-44(55)39-22-32-9-5-13-36(20-32)27-48-41(53)24-34-11-4-12-35(19-34)25-42(54)49-28-37-14-6-10-33(21-37)23-40(45(56)51-39)52-59(57,58)29-31-7-2-1-3-8-31/h1-21,39-40,52H,22-29H2,(H3,46,47)(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t39-,40+/m0/s1
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223n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of activated protein C by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50380620
PNG
(CHEMBL2016866)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCC(=O)NCc3cccc(CNC(=O)CC[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N2)c3)cc1 |r|
Show InChI InChI=1S/C33H39N7O6S/c34-31(35)26-11-9-22(10-12-26)18-38-32(43)27-13-15-29(41)36-19-24-7-4-8-25(17-24)20-37-30(42)16-14-28(33(44)39-27)40-47(45,46)21-23-5-2-1-3-6-23/h1-12,17,27-28,40H,13-16,18-21H2,(H3,34,35)(H,36,41)(H,37,42)(H,38,43)(H,39,44)/t27-,28+/m0/s1
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431n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasmin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50380622
PNG
(CHEMBL2016867)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)CN4CCN(CC4)CC(=O)NCc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:11.10,wD:38.39,(24.36,-25.86,;24.33,-24.32,;25.66,-23.53,;22.99,-23.57,;21.66,-24.36,;20.32,-23.61,;20.31,-22.07,;18.96,-21.31,;18.94,-19.77,;17.6,-19.02,;16.28,-19.81,;17.58,-17.48,;18.91,-16.7,;18.89,-15.16,;17.55,-14.4,;17.54,-12.86,;18.87,-12.08,;18.86,-10.54,;17.52,-9.78,;17.5,-8.24,;18.83,-7.46,;16.16,-7.48,;14.84,-8.27,;14.85,-9.81,;13.52,-10.58,;12.18,-9.82,;12.17,-8.29,;13.49,-7.5,;10.85,-10.59,;9.51,-9.83,;9.5,-8.29,;8.19,-10.61,;8.2,-12.15,;9.53,-12.91,;10.87,-12.14,;12.2,-12.9,;12.2,-14.43,;13.54,-15.2,;13.55,-16.74,;12.22,-17.51,;12.23,-19.05,;13.71,-18.64,;13.32,-20.13,;10.9,-19.83,;10.9,-21.37,;9.58,-22.14,;9.58,-23.68,;10.92,-24.44,;12.26,-23.66,;12.24,-22.12,;14.89,-17.5,;14.89,-19.04,;16.22,-16.72,;10.88,-15.22,;9.55,-14.46,;20.21,-12.83,;20.22,-14.37,;21.62,-21.28,;22.97,-22.02,)|
Show InChI InChI=1S/C43H51N9O6S/c44-41(45)36-16-14-34(15-17-36)26-48-42(55)37-22-30-6-10-32(11-7-30)24-46-39(53)27-51-18-20-52(21-19-51)28-40(54)47-25-33-12-8-31(9-13-33)23-38(43(56)49-37)50-59(57,58)29-35-4-2-1-3-5-35/h1-17,37-38,50H,18-29H2,(H3,44,45)(H,46,53)(H,47,54)(H,48,55)(H,49,56)/t37-,38+/m0/s1
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493n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasma kallikrein by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50380625
PNG
(CHEMBL2016872)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(OCCCCOc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r|
Show InChI InChI=1S/C37H41N5O6S/c38-35(39)30-14-8-28(9-15-30)24-40-36(43)33-22-26-10-16-31(17-11-26)47-20-4-5-21-48-32-18-12-27(13-19-32)23-34(37(44)41-33)42-49(45,46)25-29-6-2-1-3-7-29/h1-3,6-19,33-34,42H,4-5,20-25H2,(H3,38,39)(H,40,43)(H,41,44)/t33-,34+/m0/s1
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510n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of thrombin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50380628
PNG
(CHEMBL2016876)
Show SMILES CCCCCCCCNC(=O)[C@@H](Cc1ccc(OCc2ccncc2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:11.28,33.35,wD:30.31,(18.44,-28.09,;19.77,-28.86,;21.11,-28.09,;22.44,-28.86,;23.77,-28.09,;25.11,-28.86,;26.44,-28.09,;27.77,-28.86,;29.11,-28.09,;30.44,-28.86,;30.44,-30.4,;31.78,-28.09,;31.78,-26.55,;30.44,-25.78,;30.45,-24.24,;29.11,-23.47,;27.78,-24.24,;26.44,-23.47,;25.11,-24.25,;23.78,-23.48,;23.78,-21.94,;22.45,-21.17,;21.11,-21.94,;21.12,-23.49,;22.45,-24.25,;27.78,-25.79,;29.12,-26.55,;33.11,-28.86,;34.44,-28.09,;34.44,-26.55,;35.78,-28.86,;35.77,-30.4,;37.09,-31.17,;38.43,-30.4,;39.76,-31.18,;39.75,-32.72,;38.43,-28.86,;37.1,-28.08,)|
Show InChI InChI=1S/C31H46N4O3/c1-2-3-4-5-6-7-18-34-31(37)29(35-30(36)27-12-8-25(22-32)9-13-27)21-24-10-14-28(15-11-24)38-23-26-16-19-33-20-17-26/h10-11,14-17,19-20,25,27,29H,2-9,12-13,18,21-23,32H2,1H3,(H,34,37)(H,35,36)/t25-,27-,29-/m1/s1
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530n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasmin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50380618
PNG
(CHEMBL2016868)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(CNC(=O)Cc4ccc(CC(=O)NCc5cccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)c5)cc4)c3)cc1 |r|
Show InChI InChI=1S/C45H47N7O6S/c46-43(47)38-18-16-32(17-19-38)26-50-44(55)39-22-34-8-4-10-36(20-34)27-48-41(53)24-30-12-14-31(15-13-30)25-42(54)49-28-37-11-5-9-35(21-37)23-40(45(56)51-39)52-59(57,58)29-33-6-2-1-3-7-33/h1-21,39-40,52H,22-29H2,(H3,46,47)(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t39-,40+/m0/s1
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564n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of activated protein C by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50380619
PNG
(CHEMBL2016865)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-c1cccc(-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-c2ccccc2)-[#7]S(=O)(=O)[#6]-c2cccc(c2)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)-[#6](-[#7])=[#7])c1 |r|
Show InChI InChI=1S/C38H44N8O6S/c39-34(40)30-17-15-26(16-18-30)22-43-35(47)33(21-27-10-4-11-28(19-27)23-44-38(41)42)45-36(48)32(14-6-9-25-7-2-1-3-8-25)46-53(51,52)24-29-12-5-13-31(20-29)37(49)50/h1-5,7-8,10-13,15-20,32-33,46H,6,9,14,21-24H2,(H3,39,40)(H,43,47)(H,45,48)(H,49,50)(H4,41,42,44)/t32-,33+/m1/s1
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667n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of thrombin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50380625
PNG
(CHEMBL2016872)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(OCCCCOc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r|
Show InChI InChI=1S/C37H41N5O6S/c38-35(39)30-14-8-28(9-15-30)24-40-36(43)33-22-26-10-16-31(17-11-26)47-20-4-5-21-48-32-18-12-27(13-19-32)23-34(37(44)41-33)42-49(45,46)25-29-6-2-1-3-7-29/h1-3,6-19,33-34,42H,4-5,20-25H2,(H3,38,39)(H,40,43)(H,41,44)/t33-,34+/m0/s1
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784n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of factor 10a by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50380621
PNG
(CHEMBL2016864)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)Cc4ccc(CC(=O)NCc5ccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)cc5)cc4)cc3)cc1 |r|
Show InChI InChI=1S/C45H47N7O6S/c46-43(47)38-20-18-36(19-21-38)28-50-44(55)39-22-30-10-14-34(15-11-30)26-48-41(53)24-32-6-8-33(9-7-32)25-42(54)49-27-35-16-12-31(13-17-35)23-40(45(56)51-39)52-59(57,58)29-37-4-2-1-3-5-37/h1-21,39-40,52H,22-29H2,(H3,46,47)(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t39-,40+/m0/s1
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868n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasma kallikrein by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50380627
PNG
(CHEMBL2016875)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(CC4=CCC=C(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)N4O)nn3)cc1 |r,t:17,20|
Show InChI InChI=1S/C32H36N12O5S/c33-30(34)23-11-9-21(10-12-23)15-35-31(45)28-13-24-16-42(40-37-24)18-26-7-4-8-27(44(26)47)19-43-17-25(38-41-43)14-29(32(46)36-28)39-50(48,49)20-22-5-2-1-3-6-22/h1-3,5-12,16-17,28-29,39,47H,4,13-15,18-20H2,(H3,33,34)(H,35,45)(H,36,46)/t28-,29+/m0/s1
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1.18E+3n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of thrombin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50380626
PNG
(CHEMBL2016874)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4cccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)n4)nn3)cc1 |r|
Show InChI InChI=1S/C32H34N12O4S/c33-30(34)23-11-9-21(10-12-23)15-35-31(45)28-13-26-18-43(41-38-26)16-24-7-4-8-25(36-24)17-44-19-27(39-42-44)14-29(32(46)37-28)40-49(47,48)20-22-5-2-1-3-6-22/h1-12,18-19,28-29,40H,13-17,20H2,(H3,33,34)(H,35,45)(H,37,46)/t28-,29+/m0/s1
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1.86E+3n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of factor 10a by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50380620
PNG
(CHEMBL2016866)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCC(=O)NCc3cccc(CNC(=O)CC[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N2)c3)cc1 |r|
Show InChI InChI=1S/C33H39N7O6S/c34-31(35)26-11-9-22(10-12-26)18-38-32(43)27-13-15-29(41)36-19-24-7-4-8-25(17-24)20-37-30(42)16-14-28(33(44)39-27)40-47(45,46)21-23-5-2-1-3-6-23/h1-12,17,27-28,40H,13-16,18-21H2,(H3,34,35)(H,36,41)(H,37,42)(H,38,43)(H,39,44)/t27-,28+/m0/s1
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2.02E+3n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of thrombin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50380630
PNG
(CHEMBL2016878)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C59H60N8O10/c68-41-24-21-35(22-25-41)27-52(58(74)75)66-55(71)49(28-38-31-60-45-17-7-4-14-42(38)45)63-53(69)26-23-37-13-10-20-48(54(37)70)64-56(72)50(29-39-32-61-46-18-8-5-15-43(39)46)65-57(73)51(30-40-33-62-47-19-9-6-16-44(40)47)67-59(76)77-34-36-11-2-1-3-12-36/h1-9,11-12,14-19,21-22,24-25,31-33,37,48-52,60-62,68H,10,13,20,23,26-30,34H2,(H,63,69)(H,64,72)(H,65,73)(H,66,71)(H,67,76)(H,74,75)/t37-,48-,49+,50+,51+,52+/m1/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasmin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50380617
PNG
(CHEMBL2016873)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4cccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)c4)nn3)cc1 |r|
Show InChI InChI=1S/C33H35N11O4S/c34-31(35)26-11-9-22(10-12-26)16-36-32(45)29-14-27-19-43(41-38-27)17-24-7-4-8-25(13-24)18-44-20-28(39-42-44)15-30(33(46)37-29)40-49(47,48)21-23-5-2-1-3-6-23/h1-13,19-20,29-30,40H,14-18,21H2,(H3,34,35)(H,36,45)(H,37,46)/t29-,30+/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of activated protein C by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
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