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BDBM50089084 CHEMBL3317857::Vaborbactam

SMILES: OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)Cc1cccs1

InChI Key: InChIKey=IOOWNWLVCOUUEX-WPRPVWTQSA-N

Data: 3 KI  9 IC50

PDB links: 8 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50089084   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbapenem-hydrolyzing beta-lactamase KPC


()
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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56n/an/an/an/an/an/an/an/a



Qpex Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli KPC-2 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition and measured e...


J Med Chem 63: 7491-7507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01976
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
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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>4.00E+4n/an/an/an/an/an/an/an/a



Qpex Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli VIM-1 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every...


J Med Chem 63: 7491-7507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01976
More data for this
Ligand-Target Pair
Beta-lactamase OXA-23


(Acinetobacter baumannii)
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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>4.00E+4n/an/an/an/an/an/an/an/a



Qpex Biopharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Acinetobacter baumannii OXA-23 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every 10 ...


J Med Chem 63: 7491-7507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01976
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
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
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
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
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
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
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
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
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