BindingDB PrimarySearch

BDBM50074960 (R)-2-(3,4-Dimethoxy-5-propyl-phenyl)-4,5-dihydro-oxazole-4-carboxylic acid hydroxyamide::(R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydrooxazole-4-carboxamide::CHEMBL107313::L-161240

SMILES: CCCc1cc(cc(OC)c1OC)C1=N[C@H](CO1)C(=O)NO

InChI Key: InChIKey=DGGKRIGJIQRXQD-LLVKDONJSA-N

Data: 6 KI 1 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50074960
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
UDP-3-O-acyl-GlcNAc deacetylase (Escherichia coli)	BDBM50074960 ((R)-2-(3,4-Dimethoxy-5-propyl-phenyl)-4,5-dihydro-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Medical Center Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC				Proc Natl Acad Sci U S A 104: 18433-8 (2007) Article DOI: 10.1073/pnas.0709412104 BindingDB Entry DOI: 10.7270/Q2SB48HR
Duke University Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-GlcNAc deacetylase (Escherichia coli)	BDBM50074960 ((R)-2-(3,4-Dimethoxy-5-propyl-phenyl)-4,5-dihydro-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Medical Center Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC Q202W/G210S mutant				Proc Natl Acad Sci U S A 104: 18433-8 (2007) Article DOI: 10.1073/pnas.0709412104 BindingDB Entry DOI: 10.7270/Q2SB48HR
Duke University Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-GlcNAc deacetylase (Escherichia coli)	BDBM50074960 ((R)-2-(3,4-Dimethoxy-5-propyl-phenyl)-4,5-dihydro-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC				Bioorg Med Chem Lett 22: 2536-43 (2012) Article DOI: 10.1016/j.bmcl.2012.01.140 BindingDB Entry DOI: 10.7270/Q2JS9T9W
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-GlcNAc deacetylase (Escherichia coli)	BDBM50074960 ((R)-2-(3,4-Dimethoxy-5-propyl-phenyl)-4,5-dihydro-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC				Bioorg Med Chem Lett 21: 1155-61 (2011) Article DOI: 10.1016/j.bmcl.2010.12.111 BindingDB Entry DOI: 10.7270/Q2Q52SFZ
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-GlcNAc deacetylase (Escherichia coli)	BDBM50074960 ((R)-2-(3,4-Dimethoxy-5-propyl-phenyl)-4,5-dihydro-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC enzyme				J Med Chem 56: 6954-6966 (2013) Article DOI: 10.1021/jm4007774 BindingDB Entry DOI: 10.7270/Q28K7D11
Duke University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Rhizobium leguminosarum bv. trifolii (strain WSM13...)	BDBM50074960 ((R)-2-(3,4-Dimethoxy-5-propyl-phenyl)-4,5-dihydro-...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Medical Center Curated by ChEMBL					Assay Description Inhibition of Rhizobium leguminosarum LpxC W206Q/S214G mutant				Proc Natl Acad Sci U S A 104: 18433-8 (2007) Article DOI: 10.1073/pnas.0709412104 BindingDB Entry DOI: 10.7270/Q2SB48HR
Duke University Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase (LxpC) (Escherichia coli)	BDBM50074960 ((R)-2-(3,4-Dimethoxy-5-propyl-phenyl)-4,5-dihydro-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase using direct deacetylase assay (DEACET) in E. coli strain JB 1104				Bioorg Med Chem Lett 9: 313-8 (1999) BindingDB Entry DOI: 10.7270/Q2CJ8CNN
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)