BDBM50116901 CHEMBL3613027

SMILES: CC(=O)Oc1ccc(\C=C\C(=O)NCCC#C)cc1OC(C)=O

InChI Key: InChIKey=CHTAKXOCKIGYBD-VQHVLOKHSA-N

Data: 2 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 2 hits for monomerid = 50116901   

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))	BDBM50116901 (CHEMBL3613027) Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)NCCC#C)cc1OC(C)=O Show InChI InChI=1S/C17H17NO5/c1-4-5-10-18-17(21)9-7-14-6-8-15(22-12(2)19)16(11-14)23-13(3)20/h1,6-9,11H,5,10H2,2-3H3,(H,18,21)/b9-7+	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human neutrophils assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 15 mins before A23187 and arachidon...				Eur J Med Chem 101: 573-83 (2015) BindingDB Entry DOI: 10.7270/Q2V69MDP
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50116901 (CHEMBL3613027) Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)NCCC#C)cc1OC(C)=O Show InChI InChI=1S/C17H17NO5/c1-4-5-10-18-17(21)9-7-14-6-8-15(22-12(2)19)16(11-14)23-13(3)20/h1,6-9,11H,5,10H2,2-3H3,(H,18,21)/b9-7+	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Inhibition of human 5-LOX expressed in Escherichia coli Bl21 (DE3) assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 10 mins b...				Eur J Med Chem 101: 573-83 (2015) BindingDB Entry DOI: 10.7270/Q2V69MDP
					More data for this Ligand-Target Pair