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.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50089084   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50089084 (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	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Beta-lactamase VIM-1 (Klebsiella pneumoniae)	BDBM50089084 (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	PDB UniProtKB/TrEMBL GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/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