BDBM50329330 4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)but-2-ynyl-1H-imidazole-4-carboxylate::CHEMBL1270605

SMILES: O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1cnc[nH]1

InChI Key: InChIKey=WXPWXVFSLOPCOW-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50329330   

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
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50329330 (4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...) Show SMILES O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1cnc[nH]1 Show InChI InChI=1S/C20H14N4O3S/c25-19(17-12-21-13-22-17)26-10-3-4-11-28-20-24-23-18(27-20)16-9-5-7-14-6-1-2-8-15(14)16/h1-2,5-9,12-13H,10-11H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	870	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 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation ...				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
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50329330 (4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...) Show SMILES O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1cnc[nH]1 Show InChI InChI=1S/C20H14N4O3S/c25-19(17-12-21-13-22-17)26-10-3-4-11-28-20-24-23-18(27-20)16-9-5-7-14-6-1-2-8-15(14)16/h1-2,5-9,12-13H,10-11H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.40E+3	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 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation ...				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
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50329330 (4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...) Show SMILES O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1cnc[nH]1 Show InChI InChI=1S/C20H14N4O3S/c25-19(17-12-21-13-22-17)26-10-3-4-11-28-20-24-23-18(27-20)16-9-5-7-14-6-1-2-8-15(14)16/h1-2,5-9,12-13H,10-11H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.10E+3	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 allosteric site assessed as 15-HPETE formation by Michaelis-Menten equation...				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