BDBM50446412 CHEMBL3109718

SMILES: CCCCC=Cc1cc(O)c(O)cc1O

InChI Key: InChIKey=QGQPWBDRDGHHTI-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50446412   

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
Arachidonate 15-lipoxygenase (Homo sapiens (Human))	BDBM50446412 (CHEMBL3109718) Show SMILES CCCCC=Cc1cc(O)c(O)cc1O |w:5.5| Show InChI InChI=1S/C12H16O3/c1-2-3-4-5-6-9-7-11(14)12(15)8-10(9)13/h5-8,13-15H,2-4H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 15-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins				Eur J Med Chem 67: 269-79 (2013) Article DOI: 10.1016/j.ejmech.2013.06.039 BindingDB Entry DOI: 10.7270/Q2XW4M9Z
					More data for this Ligand-Target Pair
12-Lipoxygenase (12-LOX) (Homo sapiens (Human))	BDBM50446412 (CHEMBL3109718) Show SMILES CCCCC=Cc1cc(O)c(O)cc1O |w:5.5| Show InChI InChI=1S/C12H16O3/c1-2-3-4-5-6-9-7-11(14)12(15)8-10(9)13/h5-8,13-15H,2-4H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 12-LO in human PMNL using arachidonic acid preincubated for 15 mins				Eur J Med Chem 67: 269-79 (2013) Article DOI: 10.1016/j.ejmech.2013.06.039 BindingDB Entry DOI: 10.7270/Q2XW4M9Z
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50446412 (CHEMBL3109718) Show SMILES CCCCC=Cc1cc(O)c(O)cc1O |w:5.5| Show InChI InChI=1S/C12H16O3/c1-2-3-4-5-6-9-7-11(14)12(15)8-10(9)13/h5-8,13-15H,2-4H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins				Eur J Med Chem 67: 269-79 (2013) Article DOI: 10.1016/j.ejmech.2013.06.039 BindingDB Entry DOI: 10.7270/Q2XW4M9Z
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50446412 (CHEMBL3109718) Show SMILES CCCCC=Cc1cc(O)c(O)cc1O |w:5.5| Show InChI InChI=1S/C12H16O3/c1-2-3-4-5-6-9-7-11(14)12(15)8-10(9)13/h5-8,13-15H,2-4H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins				Eur J Med Chem 67: 269-79 (2013) Article DOI: 10.1016/j.ejmech.2013.06.039 BindingDB Entry DOI: 10.7270/Q2XW4M9Z
					More data for this Ligand-Target Pair