BDBM24563 Pirinixic acid-based compound, 6h::ethyl 2-({4-chloro-6-[(quinolin-6-ylmethyl)amino]pyrimidin-2-yl}sulfanyl)octanoate

SMILES: CCCCCCC(Sc1nc(Cl)cc(NCc2ccc3ncccc3c2)n1)C(=O)OCC

InChI Key: InChIKey=BFCFGUPNXICZMR-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 24563   

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))	BDBM24563 (Pirinixic acid-based compound, 6h | ethyl 2-({4-ch...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(NCc2ccc3ncccc3c2)n1)C(=O)OCC Show InChI InChI=1S/C24H29ClN4O2S/c1-3-5-6-7-10-20(23(30)31-4-2)32-24-28-21(25)15-22(29-24)27-16-17-11-12-19-18(14-17)9-8-13-26-19/h8-9,11-15,20H,3-7,10,16H2,1-2H3,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+4	n/a	1.40E+3	n/a	n/a	7.4	37
Eberhard-Karls-University Tuebingen					Assay Description For determination of the activity of 5-LO in 100000g supernatants, aliquots of the supernatants were added to reaction mix, and were preincubated wit...				J Med Chem 51: 5449-53 (2008) Article DOI: 10.1021/jm800588x BindingDB Entry DOI: 10.7270/Q2SN077B
					More data for this Ligand-Target Pair