BDBM73278 4-keto-4-(4-propylphenyl)butyric acid::4-oxidanylidene-4-(4-propylphenyl)butanoic acid::4-oxo-4-(4-propylphenyl)butanoic acid::MLS000098355::SMR000062594::cid_725542

SMILES: CCCc1ccc(cc1)C(=O)CCC(O)=O

InChI Key: InChIKey=ARAPWKABKMIXFP-UHFFFAOYSA-N

Data: 3 IC50  3 Kd  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 73278   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
LANA (Human herpesvirus 8)	BDBM73278 (4-keto-4-(4-propylphenyl)butyric acid | 4-oxidanyl...) Show SMILES CCCc1ccc(cc1)C(=O)CCC(O)=O Show InChI InChI=1S/C13H16O3/c1-2-3-10-4-6-11(7-5-10)12(14)8-9-13(15)16/h4-7H,2-3,8-9H2,1H3,(H,15,16)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>7.50E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2HH6HHN
					More data for this Ligand-Target Pair
Metallo-beta-lactamase VIM-2 (VIM-2) (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM73278 (4-keto-4-(4-propylphenyl)butyric acid | 4-oxidanyl...) Show SMILES CCCc1ccc(cc1)C(=O)CCC(O)=O Show InChI InChI=1S/C13H16O3/c1-2-3-10-4-6-11(7-5-10)12(14)8-9-13(15)16/h4-7H,2-3,8-9H2,1H3,(H,15,16)	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.87E+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 Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) using nitrocefin as substrate prei...				J Med Chem 58: 8671-82 (2015) BindingDB Entry DOI: 10.7270/Q2959KCH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase VIM-2 (VIM-2) (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM73278 (4-keto-4-(4-propylphenyl)butyric acid | 4-oxidanyl...) Show SMILES CCCc1ccc(cc1)C(=O)CCC(O)=O Show InChI InChI=1S/C13H16O3/c1-2-3-10-4-6-11(7-5-10)12(14)8-9-13(15)16/h4-7H,2-3,8-9H2,1H3,(H,15,16)	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.73E+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 Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) measured for 15 secs by SPR ...				J Med Chem 58: 8671-82 (2015) BindingDB Entry DOI: 10.7270/Q2959KCH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM73278 (4-keto-4-(4-propylphenyl)butyric acid | 4-oxidanyl...) Show SMILES CCCc1ccc(cc1)C(=O)CCC(O)=O Show InChI InChI=1S/C13H16O3/c1-2-3-10-4-6-11(7-5-10)12(14)8-9-13(15)16/h4-7H,2-3,8-9H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.09E+6	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 His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate				Bioorg Med Chem Lett 26: 1973-7 (2016) BindingDB Entry DOI: 10.7270/Q2FT8NXX
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM73278 (4-keto-4-(4-propylphenyl)butyric acid | 4-oxidanyl...) Show SMILES CCCc1ccc(cc1)C(=O)CCC(O)=O Show InChI InChI=1S/C13H16O3/c1-2-3-10-4-6-11(7-5-10)12(14)8-9-13(15)16/h4-7H,2-3,8-9H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.10E+6	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Binding affinity to His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells by surface plasmon resonance assay				Bioorg Med Chem Lett 26: 1973-7 (2016) BindingDB Entry DOI: 10.7270/Q2FT8NXX
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM73278 (4-keto-4-(4-propylphenyl)butyric acid | 4-oxidanyl...) Show SMILES CCCc1ccc(cc1)C(=O)CCC(O)=O Show InChI InChI=1S/C13H16O3/c1-2-3-10-4-6-11(7-5-10)12(14)8-9-13(15)16/h4-7H,2-3,8-9H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.09E+6	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Binding affinity to His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells by surface plasmon resonance assay				Bioorg Med Chem Lett 26: 1973-7 (2016) BindingDB Entry DOI: 10.7270/Q2FT8NXX
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM73278 (4-keto-4-(4-propylphenyl)butyric acid | 4-oxidanyl...) Show SMILES CCCc1ccc(cc1)C(=O)CCC(O)=O Show InChI InChI=1S/C13H16O3/c1-2-3-10-4-6-11(7-5-10)12(14)8-9-13(15)16/h4-7H,2-3,8-9H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.11E+6	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 His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate				Bioorg Med Chem Lett 26: 1973-7 (2016) BindingDB Entry DOI: 10.7270/Q2FT8NXX
					More data for this Ligand-Target Pair