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PubMed code 25782055

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50089084
PNG
(CHEMBL3317857 | Vaborbactam)
Show SMILES OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)Cc1cccs1
Show InChI InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Rempex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of tissue plasminogen activator (unknown origin) using GK-pNA as substrate preincubated for 10 mins followed by substrate addition measure...


J Med Chem 58: 3682-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00127
BindingDB Entry DOI: 10.7270/Q2765H2V
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50089084
PNG
(CHEMBL3317857 | Vaborbactam)
Show SMILES OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)Cc1cccs1
Show InChI InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Rempex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of chymase (unknown origin) using Suc-AAPF-AMC as substrate preincubated for 10 mins followed by substrate addition measured for 30 mins b...


J Med Chem 58: 3682-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00127
BindingDB Entry DOI: 10.7270/Q2765H2V
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50089084
PNG
(CHEMBL3317857 | Vaborbactam)
Show SMILES OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)Cc1cccs1
Show InChI InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Rempex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of neutrophil elastase (unknown origin) using MeOSuc-AAVP-AMC as substrate preincubated for 10 mins followed by substrate addition measure...


J Med Chem 58: 3682-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00127
BindingDB Entry DOI: 10.7270/Q2765H2V
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50089084
PNG
(CHEMBL3317857 | Vaborbactam)
Show SMILES OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)Cc1cccs1
Show InChI InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Rempex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of urokinase (unknown origin) using NGK-pNA as substrate preincubated for 10 mins followed by substrate addition measured for 30 mins by s...


J Med Chem 58: 3682-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00127
BindingDB Entry DOI: 10.7270/Q2765H2V
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (human))
BDBM50089084
PNG
(CHEMBL3317857 | Vaborbactam)
Show SMILES OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)Cc1cccs1
Show InChI InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Rempex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of trypsin (unknown origin) using N-Bz-R-AMC as substrate preincubated for 10 mins followed by substrate addition measured for 30 mins by ...


J Med Chem 58: 3682-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00127
BindingDB Entry DOI: 10.7270/Q2765H2V
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50089084
PNG
(CHEMBL3317857 | Vaborbactam)
Show SMILES OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)Cc1cccs1
Show InChI InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Rempex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin) using H-D-VLK-pNA as substrate preincubated for 10 mins followed by substrate addition measured for 30 mins by...


J Med Chem 58: 3682-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00127
BindingDB Entry DOI: 10.7270/Q2765H2V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50089084
PNG
(CHEMBL3317857 | Vaborbactam)
Show SMILES OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)Cc1cccs1
Show InChI InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Rempex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin) using Benz-FVR-AMC as substrate preincubated for 10 mins followed by substrate addition measured for 30 mins ...


J Med Chem 58: 3682-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00127
BindingDB Entry DOI: 10.7270/Q2765H2V
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50089084
PNG
(CHEMBL3317857 | Vaborbactam)
Show SMILES OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)Cc1cccs1
Show InChI InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



Rempex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin A (unknown origin) using MCA-RPPGFSAFK-Dnp as substrate preincubated for 10 mins followed by substrate addition measured for ...


J Med Chem 58: 3682-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00127
BindingDB Entry DOI: 10.7270/Q2765H2V
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50089084
PNG
(CHEMBL3317857 | Vaborbactam)
Show SMILES OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)Cc1cccs1
Show InChI InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Rempex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dipeptidyl peptidase 7 (unknown origin) using H-Lys-Pro-AMC as substrate preincubated for 10 mins followed by substrate addition measur...


J Med Chem 58: 3682-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00127
BindingDB Entry DOI: 10.7270/Q2765H2V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%