BindingDB PrimarySearch

BDBM50351512 CHEMBL8483

SMILES: CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O

InChI Key: InChIKey=PHSRRHGYXQCRPU-AWEZNQCLSA-N

Data: 1 IC50 6 EC50

PDB links: 7 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50351512
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
Transcriptional activator protein lasR (Pseudomonas aeruginosa)	BDBM50351512 (CHEMBL8483) Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O \|r\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	31	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Agonist activity at Pseudomonas aeruginosa LasR				ACS Med Chem Lett 6: 162-7 (2015) Article DOI: 10.1021/ml500459f BindingDB Entry DOI: 10.7270/Q2CV4KF1
Rowan University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcriptional activator protein lasR (Pseudomonas aeruginosa)	BDBM50351512 (CHEMBL8483) Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O \|r\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Pseudomonas aeruginosa LasR cognate receptor expressed in Escherichia coli harboring pKDT17 assessed as activation of lasB expres...				J Med Chem 53: 7467-89 (2010) Article DOI: 10.1021/jm901742e BindingDB Entry DOI: 10.7270/Q2S75GPT
The Scripps Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
PhzR (Pseudomonas aeruginosa)	BDBM50351512 (CHEMBL8483) Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O \|r\| Show InChI	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Agonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli assessed as production of beta-galactosidase				Bioorg Med Chem Lett 18: 3072-5 (2008) Article DOI: 10.1016/j.bmcl.2007.11.095 BindingDB Entry DOI: 10.7270/Q2MS3TM8
University of Wisconsin-Madison Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcriptional activator protein lasR (Pseudomonas aeruginosa)	BDBM50351512 (CHEMBL8483) Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O \|r\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	139	n/a	n/a	n/a	n/a
Larkin University Curated by ChEMBL					Assay Description Activation of LasR in Pseudomonas aeruginosa PAO-JP2 harboring plasI-LVAgfp incubated for 6 hrs by fluorescence method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115282
Larkin University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
PhzR (Pseudomonas aeruginosa)	BDBM50351512 (CHEMBL8483) Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O \|r\| Show InChI	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Agonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli JLD271 harboring QscR expression plasmid pJN105Q and pPA1897-lacZ trans...				Bioorg Med Chem 26: 5336-5342 (2018) Article DOI: 10.1016/j.bmc.2018.05.018 BindingDB Entry DOI: 10.7270/Q23B62V9
University of Wisconsin-Madison Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcriptional activator protein lasR (Pseudomonas aeruginosa)	BDBM50351512 (CHEMBL8483) Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O \|r\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Agonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli JLD271 harboring LasR expression plasmid pJN105L and lasI-lacZ transcri...				Bioorg Med Chem 26: 5336-5342 (2018) Article DOI: 10.1016/j.bmc.2018.05.018 BindingDB Entry DOI: 10.7270/Q23B62V9
University of Wisconsin-Madison Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM50351512 (CHEMBL8483) Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O \|r\| Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus RN6390B Agr-mediated RNA3 promoter activation measured up to 6 hrs by Northern blot analysis				J Med Chem 56: 1389-404 (2013) Article DOI: 10.1021/jm3014635 BindingDB Entry DOI: 10.7270/Q2BV7J0M
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair