BindingDB PrimarySearch

BDBM50006811 2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p-benzoquinone::2-(12-hydroxydodeca-5,10-diyn-1-yl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione::2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethyl-1,4-benzoquinone::AA861::CHEMBL304818::cid_1967::docebenone

SMILES: Cc1c(C)c(O)c(C=CCCC#CCCCC#CCO)c(C)c1O

InChI Key: InChIKey=YJJCOKZDOWPHHH-UHFFFAOYSA-N

Data: 8 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50006811
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
YopH (Yersinia enterocolitica)	BDBM50006811 (2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2794330
					More data for this Ligand-Target Pair
YopH (Yersinia enterocolitica)	BDBM50006811 (2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GT5KKS
					More data for this Ligand-Target Pair
YopH (Yersinia enterocolitica)	BDBM50006811 (2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2C24TVC
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Mus musculus)	BDBM50006811 (2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Yeungnam University Curated by ChEMBL					Assay Description Inhibitory activity against murine lipoxygenase-2.				Bioorg Med Chem Lett 14: 2559-62 (2004) Article DOI: 10.1016/j.bmcl.2004.02.099 BindingDB Entry DOI: 10.7270/Q2VD7005
Yeungnam University Curated by ChEMBL					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50006811 (2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells				J Med Chem 34: 267-76 (1991) BindingDB Entry DOI: 10.7270/Q2SN07X9
Takeda Chemical Industries, Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50006811 (2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hyderabad Curated by ChEMBL					Assay Description Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...				Eur J Med Chem 47: 351-9 (2012) Article DOI: 10.1016/j.ejmech.2011.11.003 BindingDB Entry DOI: 10.7270/Q2TT4RCW
University of Hyderabad Curated by ChEMBL					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50006811 (2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beecham Pharmaceuticals--Research Division Curated by ChEMBL					Assay Description In vitro inhibition of RBL-1 5-lipoxygenase				J Med Chem 30: 2216-21 (1988) BindingDB Entry DOI: 10.7270/Q27M08JG
					More data for this Ligand-Target Pair
leucine aminopeptidase (Plasmodium falciparum 3D7)	BDBM50006811 (2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	5.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q27W69N8
SRMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair