Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 214.2 BDBM50060966Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Putative hydrolase (Pseudomonas aeruginosa (strain UCBPP-PA14))	BDBM50060966 (4-Phenoxy-benzoic acid | CHEMBL107518 | US10322118...) Show SMILES OC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description The first step in characterizing the two compounds identified by high throughput screening was to verify that the inhibition was reproducible using f...				Bioorg Med Chem Lett 19: 4280-3 (2009) BindingDB Entry DOI: 10.7270/Q2KW5JC9
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM50060966 (4-Phenoxy-benzoic acid | CHEMBL107518 | US10322118...) Show SMILES OC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of native signal containing Klebsiella pneumoniae OXA-48 using nitrocefin substrate pre-incubated for 5 mins before substrate addition				J Med Chem 59: 5542-54 (2016) Article DOI: 10.1021/acs.jmedchem.6b00660 BindingDB Entry DOI: 10.7270/Q2NP26CK
					More data for this Ligand-Target Pair
Regulatory protein E2 (Human papillomavirus type 16)	BDBM50060966 (4-Phenoxy-benzoic acid | CHEMBL107518 | US10322118...) Show SMILES OC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	9.10E+6	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Dissociation constant after binding to human papillomavirus E2 DNA-binding domain (DBD) by observing the changes in [15N]-HSQC spectra.				J Med Chem 40: 3144-50 (1997) Article DOI: 10.1021/jm9703404 BindingDB Entry DOI: 10.7270/Q2MG7NN2
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM50060966 (4-Phenoxy-benzoic acid | CHEMBL107518 | US10322118...) Show SMILES OC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	6.60E+5	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Binding affinity to native signal deficient and TEV cleavage site containing His-tagged Klebsiella pneumoniae OXA-48 expressed in Escherichia coli as...				J Med Chem 59: 5542-54 (2016) Article DOI: 10.1021/acs.jmedchem.6b00660 BindingDB Entry DOI: 10.7270/Q2NP26CK
					More data for this Ligand-Target Pair