BDBM50446420 CHEMBL3109730

SMILES: O=C1CC(=O)C(=O)C(CC2CCC3CCCCC3C2)C1=O

InChI Key: InChIKey=KVMHUUZTAJHRJT-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 = 50446420   

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 5-lipoxygenase (Homo sapiens (Human))	BDBM50446420 (CHEMBL3109730) Show SMILES O=C1CC(=O)C(=O)C(CC2CCC3CCCCC3C2)C1=O Show InChI InChI=1S/C17H22O4/c18-14-9-15(19)17(21)13(16(14)20)8-10-5-6-11-3-1-2-4-12(11)7-10/h10-13H,1-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	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
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50446420 (CHEMBL3109730) Show SMILES O=C1CC(=O)C(=O)C(CC2CCC3CCCCC3C2)C1=O Show InChI InChI=1S/C17H22O4/c18-14-9-15(19)17(21)13(16(14)20)8-10-5-6-11-3-1-2-4-12(11)7-10/h10-13H,1-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	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
12-Lipoxygenase (12-LOX) (Homo sapiens (Human))	BDBM50446420 (CHEMBL3109730) Show SMILES O=C1CC(=O)C(=O)C(CC2CCC3CCCCC3C2)C1=O Show InChI InChI=1S/C17H22O4/c18-14-9-15(19)17(21)13(16(14)20)8-10-5-6-11-3-1-2-4-12(11)7-10/h10-13H,1-9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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 15-lipoxygenase (Homo sapiens (Human))	BDBM50446420 (CHEMBL3109730) Show SMILES O=C1CC(=O)C(=O)C(CC2CCC3CCCCC3C2)C1=O Show InChI InChI=1S/C17H22O4/c18-14-9-15(19)17(21)13(16(14)20)8-10-5-6-11-3-1-2-4-12(11)7-10/h10-13H,1-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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