BDBM50044076 5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)-ylidene]-2-methylsulfanyl-thiazol-4-one::CHEMBL280226

SMILES: CSC1=NC(=O)\C(S1)=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C

InChI Key: InChIKey=GUXWELWUSVXSOL-UVTDQMKNSA-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 = 50044076   

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)	BDBM50044076 (5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...) Show SMILES CSC1=NC(=O)\C(S1)=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |t:2| Show InChI InChI=1S/C19H25NO2S2/c1-18(2,3)12-8-11(9-13(15(12)21)19(4,5)6)10-14-16(22)20-17(23-7)24-14/h8-10,21H,1-7H3/b14-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	650	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))	BDBM50044076 (5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...) Show SMILES CSC1=NC(=O)\C(S1)=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |t:2| Show InChI InChI=1S/C19H25NO2S2/c1-18(2,3)12-8-11(9-13(15(12)21)19(4,5)6)10-14-16(22)20-17(23-7)24-14/h8-10,21H,1-7H3/b14-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.44E+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-2 (COX-2) (Mus musculus (Mouse))	BDBM50044076 (5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...) Show SMILES CSC1=NC(=O)\C(S1)=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |t:2| Show InChI InChI=1S/C19H25NO2S2/c1-18(2,3)12-8-11(9-13(15(12)21)19(4,5)6)10-14-16(22)20-17(23-7)24-14/h8-10,21H,1-7H3/b14-10-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+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))	BDBM50044076 (5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...) Show SMILES CSC1=NC(=O)\C(S1)=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |t:2| Show InChI InChI=1S/C19H25NO2S2/c1-18(2,3)12-8-11(9-13(15(12)21)19(4,5)6)10-14-16(22)20-17(23-7)24-14/h8-10,21H,1-7H3/b14-10-	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	1.80E+3	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
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50044076 (5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...) Show SMILES CSC1=NC(=O)\C(S1)=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |t:2| Show InChI InChI=1S/C19H25NO2S2/c1-18(2,3)12-8-11(9-13(15(12)21)19(4,5)6)10-14-16(22)20-17(23-7)24-14/h8-10,21H,1-7H3/b14-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+4	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