BDBM50044080 2-Amino-5-[1-(3,5-di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)-ylidene]-thiazol-4-one; compound with methanesulfonic acid::CHEMBL109745::CHEMBL196996::CHEMBL275835::Darbufelone mesylate

SMILES: CC(C)(C)c1cc(C=C2SC(N)=NC2=O)cc(c1O)C(C)(C)C

InChI Key: InChIKey=AKTXOQVMWSFEBQ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50044080   

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 5-lipoxygenase (Rattus norvegicus)	BDBM50044080 (2-Amino-5-[1-(3,5-di-tert-butyl-4-hydroxy-phenyl)-...) Show SMILES CC(C)(C)c1cc(C=C2SC(N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:11| Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13/h7-9,21H,1-6H3,(H2,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in intact rat basophilic leukemia cells stimulated with the calciumionophore A-23,187				J Med Chem 37: 322-8 (1994) BindingDB Entry DOI: 10.7270/Q28C9V9P
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50044080 (2-Amino-5-[1-(3,5-di-tert-butyl-4-hydroxy-phenyl)-...) Show SMILES CC(C)(C)c1cc(C=C2SC(N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:11| Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13/h7-9,21H,1-6H3,(H2,19,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	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-2 (COX-2) (Mus musculus (Mouse))	BDBM50044080 (2-Amino-5-[1-(3,5-di-tert-butyl-4-hydroxy-phenyl)-...) Show SMILES CC(C)(C)c1cc(C=C2SC(N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:11| Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13/h7-9,21H,1-6H3,(H2,19,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	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
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50044080 (2-Amino-5-[1-(3,5-di-tert-butyl-4-hydroxy-phenyl)-...) Show SMILES CC(C)(C)c1cc(C=C2SC(N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:11| Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13/h7-9,21H,1-6H3,(H2,19,20,22)	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	770	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against arachidonate 5-lipoxygenase				J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (Oryctolagus cuniculus)	BDBM50044080 (2-Amino-5-[1-(3,5-di-tert-butyl-4-hydroxy-phenyl)-...) Show SMILES CC(C)(C)c1cc(C=C2SC(N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:11| Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13/h7-9,21H,1-6H3,(H2,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of COX-1 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs by HPLC in presence of c...				Bioorg Med Chem Lett 20: 7349-53 (2010) Article DOI: 10.1016/j.bmcl.2010.10.056 BindingDB Entry DOI: 10.7270/Q21836QQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Oryctolagus cuniculus)	BDBM50044080 (2-Amino-5-[1-(3,5-di-tert-butyl-4-hydroxy-phenyl)-...) Show SMILES CC(C)(C)c1cc(C=C2SC(N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:11| Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13/h7-9,21H,1-6H3,(H2,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of c...				Bioorg Med Chem Lett 20: 7349-53 (2010) Article DOI: 10.1016/j.bmcl.2010.10.056 BindingDB Entry DOI: 10.7270/Q21836QQ
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50044080 (2-Amino-5-[1-(3,5-di-tert-butyl-4-hydroxy-phenyl)-...) Show SMILES CC(C)(C)c1cc(C=C2SC(N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:11| Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13/h7-9,21H,1-6H3,(H2,19,20,22)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against prostaglandin G/H synthase				J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9
					More data for this Ligand-Target Pair