BDBM50357008 CHEMBL1916444

SMILES: O=C(c1c(c(-c2ccccc2)n2ccc(cc12)C#N)-c1ccccc1)c1ccccc1

InChI Key: InChIKey=QRRQSTIPCGOUSQ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50357008   

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 15-lipoxygenase (Oryctolagus cuniculus (rabbit))	BDBM50357008 (CHEMBL1916444) Show SMILES O=C(c1c(c(-c2ccccc2)n2ccc(cc12)C#N)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H18N2O/c29-19-20-16-17-30-24(18-20)26(28(31)23-14-8-3-9-15-23)25(21-10-4-1-5-11-21)27(30)22-12-6-2-7-13-22/h1-18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Botswana Curated by ChEMBL					Assay Description Inhibition of rabbit reticulocytes arachidonate 15-lipoxygenase				Eur J Med Chem 46: 5237-57 (2011) Article DOI: 10.1016/j.ejmech.2011.08.042 BindingDB Entry DOI: 10.7270/Q2ZG6SNF
					More data for this Ligand-Target Pair