BDBM50054838 3-(4-Tridec-2-ynyloxymethyl-phenyl)-propionic acid::CHEMBL144207

SMILES: CCCCCCCCCCC#CCOCc1ccc(CCC(O)=O)cc1

InChI Key: InChIKey=RYRHYCDBTFUGMI-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50054838   

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 12-lipoxygenase (Sus scrofa)	BDBM50054838 (3-(4-Tridec-2-ynyloxymethyl-phenyl)-propionic acid...) Show SMILES CCCCCCCCCCC#CCOCc1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C23H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-19-26-20-22-15-13-21(14-16-22)17-18-23(24)25/h13-16H,2-10,17-20H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibitory activity against conversion of [1-14C]-arachidonic acid to 12-HPETE and its reduction product 12-HETE by porcine leukocyte type 12-lipoxyg...				J Med Chem 39: 4871-8 (1997) Article DOI: 10.1021/jm9606047 BindingDB Entry DOI: 10.7270/Q2BR8R81
					More data for this Ligand-Target Pair				3D Structure (crystal)