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Compile Data Set for Download or QSAR

Found 11 hits of ki for monomerid = 50034583   
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))
BDBM50034583
PNG
(CHEMBL287918 | Peptide boronate)
Show SMILES CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C44H56BN3O6/c1-5-6-10-25-37(45-53-36-28-33-27-35(43(33,2)3)44(36,4)54-45)46-40(49)34-24-17-26-48(34)41(50)39(47-42(51)52-29-30-18-11-7-12-19-30)38(31-20-13-8-14-21-31)32-22-15-9-16-23-32/h7-9,11-16,18-23,33-39H,5-6,10,17,24-29H2,1-4H3,(H,46,49)(H,47,51)/t33?,34-,35?,36+,37?,39-,44-/m0/s1
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0.0270n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against gamma thrombin


J Med Chem 38: 1511-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QR4W57
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50034583
PNG
(CHEMBL287918 | Peptide boronate)
Show SMILES CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C44H56BN3O6/c1-5-6-10-25-37(45-53-36-28-33-27-35(43(33,2)3)44(36,4)54-45)46-40(49)34-24-17-26-48(34)41(50)39(47-42(51)52-29-30-18-11-7-12-19-30)38(31-20-13-8-14-21-31)32-22-15-9-16-23-32/h7-9,11-16,18-23,33-39H,5-6,10,17,24-29H2,1-4H3,(H,46,49)(H,47,51)/t33?,34-,35?,36+,37?,39-,44-/m0/s1
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0.0420n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against alpha thrombin


J Med Chem 38: 1511-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QR4W57
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50034583
PNG
(CHEMBL287918 | Peptide boronate)
Show SMILES CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C44H56BN3O6/c1-5-6-10-25-37(45-53-36-28-33-27-35(43(33,2)3)44(36,4)54-45)46-40(49)34-24-17-26-48(34)41(50)39(47-42(51)52-29-30-18-11-7-12-19-30)38(31-20-13-8-14-21-31)32-22-15-9-16-23-32/h7-9,11-16,18-23,33-39H,5-6,10,17,24-29H2,1-4H3,(H,46,49)(H,47,51)/t33?,34-,35?,36+,37?,39-,44-/m0/s1
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0.450n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Trypsin


J Med Chem 38: 1511-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QR4W57
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50034583
PNG
(CHEMBL287918 | Peptide boronate)
Show SMILES CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C44H56BN3O6/c1-5-6-10-25-37(45-53-36-28-33-27-35(43(33,2)3)44(36,4)54-45)46-40(49)34-24-17-26-48(34)41(50)39(47-42(51)52-29-30-18-11-7-12-19-30)38(31-20-13-8-14-21-31)32-22-15-9-16-23-32/h7-9,11-16,18-23,33-39H,5-6,10,17,24-29H2,1-4H3,(H,46,49)(H,47,51)/t33?,34-,35?,36+,37?,39-,44-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Chymotrypsin


J Med Chem 38: 1511-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QR4W57
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50034583
PNG
(CHEMBL287918 | Peptide boronate)
Show SMILES CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C44H56BN3O6/c1-5-6-10-25-37(45-53-36-28-33-27-35(43(33,2)3)44(36,4)54-45)46-40(49)34-24-17-26-48(34)41(50)39(47-42(51)52-29-30-18-11-7-12-19-30)38(31-20-13-8-14-21-31)32-22-15-9-16-23-32/h7-9,11-16,18-23,33-39H,5-6,10,17,24-29H2,1-4H3,(H,46,49)(H,47,51)/t33?,34-,35?,36+,37?,39-,44-/m0/s1
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13n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Coagulation factor X


J Med Chem 38: 1511-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QR4W57
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50034583
PNG
(CHEMBL287918 | Peptide boronate)
Show SMILES CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C44H56BN3O6/c1-5-6-10-25-37(45-53-36-28-33-27-35(43(33,2)3)44(36,4)54-45)46-40(49)34-24-17-26-48(34)41(50)39(47-42(51)52-29-30-18-11-7-12-19-30)38(31-20-13-8-14-21-31)32-22-15-9-16-23-32/h7-9,11-16,18-23,33-39H,5-6,10,17,24-29H2,1-4H3,(H,46,49)(H,47,51)/t33?,34-,35?,36+,37?,39-,44-/m0/s1
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14.3n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cathepsin G


J Med Chem 38: 1511-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QR4W57
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50034583
PNG
(CHEMBL287918 | Peptide boronate)
Show SMILES CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C44H56BN3O6/c1-5-6-10-25-37(45-53-36-28-33-27-35(43(33,2)3)44(36,4)54-45)46-40(49)34-24-17-26-48(34)41(50)39(47-42(51)52-29-30-18-11-7-12-19-30)38(31-20-13-8-14-21-31)32-22-15-9-16-23-32/h7-9,11-16,18-23,33-39H,5-6,10,17,24-29H2,1-4H3,(H,46,49)(H,47,51)/t33?,34-,35?,36+,37?,39-,44-/m0/s1
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24n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against plasmin


J Med Chem 38: 1511-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QR4W57
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)
BDBM50034583
PNG
(CHEMBL287918 | Peptide boronate)
Show SMILES CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C44H56BN3O6/c1-5-6-10-25-37(45-53-36-28-33-27-35(43(33,2)3)44(36,4)54-45)46-40(49)34-24-17-26-48(34)41(50)39(47-42(51)52-29-30-18-11-7-12-19-30)38(31-20-13-8-14-21-31)32-22-15-9-16-23-32/h7-9,11-16,18-23,33-39H,5-6,10,17,24-29H2,1-4H3,(H,46,49)(H,47,51)/t33?,34-,35?,36+,37?,39-,44-/m0/s1
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33.1n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards porcine pancreatic elastase


J Med Chem 38: 1511-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QR4W57
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50034583
PNG
(CHEMBL287918 | Peptide boronate)
Show SMILES CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C44H56BN3O6/c1-5-6-10-25-37(45-53-36-28-33-27-35(43(33,2)3)44(36,4)54-45)46-40(49)34-24-17-26-48(34)41(50)39(47-42(51)52-29-30-18-11-7-12-19-30)38(31-20-13-8-14-21-31)32-22-15-9-16-23-32/h7-9,11-16,18-23,33-39H,5-6,10,17,24-29H2,1-4H3,(H,46,49)(H,47,51)/t33?,34-,35?,36+,37?,39-,44-/m0/s1
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42n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against thrombin


J Med Chem 38: 1511-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QR4W57
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM50034583
PNG
(CHEMBL287918 | Peptide boronate)
Show SMILES CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C44H56BN3O6/c1-5-6-10-25-37(45-53-36-28-33-27-35(43(33,2)3)44(36,4)54-45)46-40(49)34-24-17-26-48(34)41(50)39(47-42(51)52-29-30-18-11-7-12-19-30)38(31-20-13-8-14-21-31)32-22-15-9-16-23-32/h7-9,11-16,18-23,33-39H,5-6,10,17,24-29H2,1-4H3,(H,46,49)(H,47,51)/t33?,34-,35?,36+,37?,39-,44-/m0/s1
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160n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against kallikrein


J Med Chem 38: 1511-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QR4W57
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50034583
PNG
(CHEMBL287918 | Peptide boronate)
Show SMILES CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C44H56BN3O6/c1-5-6-10-25-37(45-53-36-28-33-27-35(43(33,2)3)44(36,4)54-45)46-40(49)34-24-17-26-48(34)41(50)39(47-42(51)52-29-30-18-11-7-12-19-30)38(31-20-13-8-14-21-31)32-22-15-9-16-23-32/h7-9,11-16,18-23,33-39H,5-6,10,17,24-29H2,1-4H3,(H,46,49)(H,47,51)/t33?,34-,35?,36+,37?,39-,44-/m0/s1
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540n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Urokinase plasminogen activator


J Med Chem 38: 1511-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QR4W57
More data for this
Ligand-Target Pair