BDBM50075508 2-Allyloxyamino-5-[1-(3,5-di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)-ylidene]-oxazol-4-one::CHEMBL277515

SMILES: CC(C)(C)c1cc(C=C2OC(NOCC=C)=NC2=O)cc(c1O)C(C)(C)C

InChI Key: InChIKey=DTRKBNINDIYVFS-UHFFFAOYSA-N

Data: 4 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 = 50075508   

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))	BDBM50075508 (2-Allyloxyamino-5-[1-(3,5-di-tert-butyl-4-hydroxy-...) Show SMILES CC(C)(C)c1cc(C=C2OC(NOCC=C)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:15| Show InChI InChI=1S/C21H28N2O4/c1-8-9-26-23-19-22-18(25)16(27-19)12-13-10-14(20(2,3)4)17(24)15(11-13)21(5,6)7/h8,10-12,24H,1,9H2,2-7H3,(H,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 against Prostaglandin G/H synthase 1 from human platelet rich plasma				J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50075508 (2-Allyloxyamino-5-[1-(3,5-di-tert-butyl-4-hydroxy-...) Show SMILES CC(C)(C)c1cc(C=C2OC(NOCC=C)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:15| Show InChI InChI=1S/C21H28N2O4/c1-8-9-26-23-19-22-18(25)16(27-19)12-13-10-14(20(2,3)4)17(24)15(11-13)21(5,6)7/h8,10-12,24H,1,9H2,2-7H3,(H,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 against ovine Prostaglandin G/H synthase 1				J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3
					More data for this Ligand-Target Pair
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse))	BDBM50075508 (2-Allyloxyamino-5-[1-(3,5-di-tert-butyl-4-hydroxy-...) Show SMILES CC(C)(C)c1cc(C=C2OC(NOCC=C)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:15| Show InChI InChI=1S/C21H28N2O4/c1-8-9-26-23-19-22-18(25)16(27-19)12-13-10-14(20(2,3)4)17(24)15(11-13)21(5,6)7/h8,10-12,24H,1,9H2,2-7H3,(H,22,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.				J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50075508 (2-Allyloxyamino-5-[1-(3,5-di-tert-butyl-4-hydroxy-...) Show SMILES CC(C)(C)c1cc(C=C2OC(NOCC=C)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:15| Show InChI InChI=1S/C21H28N2O4/c1-8-9-26-23-19-22-18(25)16(27-19)12-13-10-14(20(2,3)4)17(24)15(11-13)21(5,6)7/h8,10-12,24H,1,9H2,2-7H3,(H,22,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 against recombinant human Prostaglandin G/H synthase 2				J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3
					More data for this Ligand-Target Pair