BDBM50078890 CHEMBL3416357

SMILES: CCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O

InChI Key: InChIKey=CPFJVTBKWXMGTD-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 = 50078890   

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))	BDBM50078890 (CHEMBL3416357) Show SMILES CCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:10,16| Show InChI InChI=1S/C18H28O4/c1-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(21-2)18(14)22-3/h13H,4-12H2,1-3H3	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	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 incubated for 10 mins in presence of arachidonic acid by RP-HPLC based cell-...				Eur J Med Chem 94: 132-9 (2015) Article DOI: 10.1016/j.ejmech.2015.02.042 BindingDB Entry DOI: 10.7270/Q2T72K5H
					More data for this Ligand-Target Pair
Macrophage-expressed gene 1 protein (Homo sapiens (Human))	BDBM50078890 (CHEMBL3416357) Show SMILES CCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:10,16| Show InChI InChI=1S/C18H28O4/c1-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(21-2)18(14)22-3/h13H,4-12H2,1-3H3	PDB UniProtKB/SwissProt 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 Naples Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 synthase activity after 15 mins using ...				Eur J Med Chem 94: 132-9 (2015) Article DOI: 10.1016/j.ejmech.2015.02.042 BindingDB Entry DOI: 10.7270/Q2T72K5H
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50078890 (CHEMBL3416357) Show SMILES CCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:10,16| Show InChI InChI=1S/C18H28O4/c1-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(21-2)18(14)22-3/h13H,4-12H2,1-3H3	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	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Curated by ChEMBL					Assay Description Inhibition of 5-LOX in A23187-stimulated human blood PMNL assessed as reduction in lipoxygenase products formation in presence of arachidonic acid pr...				Eur J Med Chem 94: 132-9 (2015) Article DOI: 10.1016/j.ejmech.2015.02.042 BindingDB Entry DOI: 10.7270/Q2T72K5H
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50078890 (CHEMBL3416357) Show SMILES CCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:10,16| Show InChI InChI=1S/C18H28O4/c1-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(21-2)18(14)22-3/h13H,4-12H2,1-3H3	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	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Curated by ChEMBL					Assay Description Inhibition of 5-LOX in A23187-stimulated human blood PMNL assessed as reduction in lipoxygenase products formation pre-incubated for 15 mins followed...				Eur J Med Chem 94: 132-9 (2015) Article DOI: 10.1016/j.ejmech.2015.02.042 BindingDB Entry DOI: 10.7270/Q2T72K5H
					More data for this Ligand-Target Pair