BDBM50182505 2-([1,2,4]triazolo[4,3-a]quinolin-1-ylthio)-N-phenethylacetamide::CHEMBL204917

SMILES: O=C(CSc1nnc2ccc3ccccc3n12)NCCc1ccccc1

InChI Key: InChIKey=YPPJLQGRWPRHHY-UHFFFAOYSA-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 = 50182505   

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 (Homo sapiens (Human))	BDBM50182505 (2-([1,2,4]triazolo[4,3-a]quinolin-1-ylthio)-N-phen...) Show SMILES O=C(CSc1nnc2ccc3ccccc3n12)NCCc1ccccc1 Show InChI InChI=1S/C20H18N4OS/c25-19(21-13-12-15-6-2-1-3-7-15)14-26-20-23-22-18-11-10-16-8-4-5-9-17(16)24(18)20/h1-11H,12-14H2,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of 15-hLO				J Med Chem 49: 1356-63 (2006) Article DOI: 10.1021/jm050639j BindingDB Entry DOI: 10.7270/Q2057FH3
					More data for this Ligand-Target Pair
12-Lipoxygenase (12-LOX) (Homo sapiens (Human))	BDBM50182505 (2-([1,2,4]triazolo[4,3-a]quinolin-1-ylthio)-N-phen...) Show SMILES O=C(CSc1nnc2ccc3ccccc3n12)NCCc1ccccc1 Show InChI InChI=1S/C20H18N4OS/c25-19(21-13-12-15-6-2-1-3-7-15)14-26-20-23-22-18-11-10-16-8-4-5-9-17(16)24(18)20/h1-11H,12-14H2,(H,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of 12-hLO				J Med Chem 49: 1356-63 (2006) Article DOI: 10.1021/jm050639j BindingDB Entry DOI: 10.7270/Q2057FH3
					More data for this Ligand-Target Pair