BDBM50116897 CHEMBL3613031

SMILES: CC(=O)Oc1ccc(\C=C\C(=O)OCCCCc2cnnn2CCCO)cc1OC(C)=O

InChI Key: InChIKey=MSFSGUCOJFOZCF-CSKARUKUSA-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 = 50116897   

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))	BDBM50116897 (CHEMBL3613031) Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCCCc2cnnn2CCCO)cc1OC(C)=O Show InChI InChI=1S/C22H27N3O7/c1-16(27)31-20-9-7-18(14-21(20)32-17(2)28)8-10-22(29)30-13-4-3-6-19-15-23-24-25(19)11-5-12-26/h7-10,14-15,26H,3-6,11-13H2,1-2H3/b10-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.60E+3	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))	BDBM50116897 (CHEMBL3613031) Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCCCc2cnnn2CCCO)cc1OC(C)=O Show InChI InChI=1S/C22H27N3O7/c1-16(27)31-20-9-7-18(14-21(20)32-17(2)28)8-10-22(29)30-13-4-3-6-19-15-23-24-25(19)11-5-12-26/h7-10,14-15,26H,3-6,11-13H2,1-2H3/b10-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.10E+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