BDBM50329322 4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)but-2-ynyl benzo[b]thiophene-2-carboxylate::CHEMBL1270810

SMILES: O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1cc2ccccc2s1

InChI Key: InChIKey=DEFCRCHSGYRKLO-UHFFFAOYSA-N

Data: 1 KI  3 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 4 hits for monomerid = 50329322   

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))	BDBM50329322 (4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...) Show SMILES O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1cc2ccccc2s1 Show InChI InChI=1S/C25H16N2O3S2/c28-24(22-16-18-9-2-4-13-21(18)32-22)29-14-5-6-15-31-25-27-26-23(30-25)20-12-7-10-17-8-1-3-11-19(17)20/h1-4,7-13,16H,14-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged reticulocyte 15-lipoxygenase-1 after 15 mins by UV-vis spectrophotometer analysis				J Med Chem 53: 7392-404 (2010) Article DOI: 10.1021/jm1008852 BindingDB Entry DOI: 10.7270/Q2SJ1KVW
					More data for this Ligand-Target Pair
12-Lipoxygenase (12-LOX) (Homo sapiens (Human))	BDBM50329322 (4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...) Show SMILES O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1cc2ccccc2s1 Show InChI InChI=1S/C25H16N2O3S2/c28-24(22-16-18-9-2-4-13-21(18)32-22)29-14-5-6-15-31-25-27-26-23(30-25)20-12-7-10-17-8-1-3-11-19(17)20/h1-4,7-13,16H,14-15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged platelet 12-lipoxygenase after 15 mins by UV-vis spectrophotometer analysis				J Med Chem 53: 7392-404 (2010) Article DOI: 10.1021/jm1008852 BindingDB Entry DOI: 10.7270/Q2SJ1KVW
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50329322 (4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...) Show SMILES O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1cc2ccccc2s1 Show InChI InChI=1S/C25H16N2O3S2/c28-24(22-16-18-9-2-4-13-21(18)32-22)29-14-5-6-15-31-25-27-26-23(30-25)20-12-7-10-17-8-1-3-11-19(17)20/h1-4,7-13,16H,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human 5-lipoxygenase after 15 mins by UV-vis spectrophotometer analysis				J Med Chem 53: 7392-404 (2010) Article DOI: 10.1021/jm1008852 BindingDB Entry DOI: 10.7270/Q2SJ1KVW
					More data for this Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2) (Homo sapiens (Human))	BDBM50329322 (4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...) Show SMILES O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1cc2ccccc2s1 Show InChI InChI=1S/C25H16N2O3S2/c28-24(22-16-18-9-2-4-13-21(18)32-22)29-14-5-6-15-31-25-27-26-23(30-25)20-12-7-10-17-8-1-3-11-19(17)20/h1-4,7-13,16H,14-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged epithelial 15-lipoxygenase-2 after 15 mins by UV-vis spectrophotometer analysis				J Med Chem 53: 7392-404 (2010) Article DOI: 10.1021/jm1008852 BindingDB Entry DOI: 10.7270/Q2SJ1KVW
					More data for this Ligand-Target Pair