BDBM50046904 5-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3H-[1,3,4]oxadiazol-2-one::5-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-[1,3,4]oxadiazol-2-ol::CHEMBL16977

SMILES: CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1n[nH]c(=O)o1

InChI Key: InChIKey=QBSXHWPOIXJHIN-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50046904   

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
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50046904 (5-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3H-[1,3,4]o...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1n[nH]c(=O)o1 Show InChI InChI=1S/C16H22N2O3/c1-15(2,3)10-7-9(13-17-18-14(20)21-13)8-11(12(10)19)16(4,5)6/h7-8,19H,1-6H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value against Prostaglandin G/H synthase 1 of human platelet rich plasma				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50046904 (5-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3H-[1,3,4]o...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1n[nH]c(=O)o1 Show InChI InChI=1S/C16H22N2O3/c1-15(2,3)10-7-9(13-17-18-14(20)21-13)8-11(12(10)19)16(4,5)6/h7-8,19H,1-6H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value against ovine Prostaglandin G/H synthase 1				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50046904 (5-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3H-[1,3,4]o...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1n[nH]c(=O)o1 Show InChI InChI=1S/C16H22N2O3/c1-15(2,3)10-7-9(13-17-18-14(20)21-13)8-11(12(10)19)16(4,5)6/h7-8,19H,1-6H3,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase measured by the reduction of leukotriene B4 (LTB4) in intact basophilic rat leukemia cells				J Med Chem 36: 1090-9 (1993) BindingDB Entry DOI: 10.7270/Q20P10PV
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50046904 (5-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3H-[1,3,4]o...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1n[nH]c(=O)o1 Show InChI InChI=1S/C16H22N2O3/c1-15(2,3)10-7-9(13-17-18-14(20)21-13)8-11(12(10)19)16(4,5)6/h7-8,19H,1-6H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of recombinant human prostaglandin G/H synthase 2 (COX-2)				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse))	BDBM50046904 (5-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3H-[1,3,4]o...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1n[nH]c(=O)o1 Show InChI InChI=1S/C16H22N2O3/c1-15(2,3)10-7-9(13-17-18-14(20)21-13)8-11(12(10)19)16(4,5)6/h7-8,19H,1-6H3,(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value against Prostaglandin G/H synthase 2 of murine J774A.1 cell line				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair