BDBM50046918 2,6-Di-tert-butyl-4-[(E)-2-(5-mercapto-[1,3,4]thiadiazol-2-yl)-vinyl]-phenol::5-[2-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-vinyl]-3H-[1,3,4]thiadiazole-2-thione::CHEMBL94851

SMILES: CC(C)(C)c1cc(C=Cc2nnc(S)s2)cc(c1O)C(C)(C)C

InChI Key: InChIKey=ZWGTUOQMKRRRNZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50046918   

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)	BDBM50046918 (2,6-Di-tert-butyl-4-[(E)-2-(5-mercapto-[1,3,4]thia...) Show SMILES CC(C)(C)c1cc(C=Cc2nnc(S)s2)cc(c1O)C(C)(C)C |w:7.6| Show InChI InChI=1S/C18H24N2OS2/c1-17(2,3)12-9-11(7-8-14-19-20-16(22)23-14)10-13(15(12)21)18(4,5)6/h7-10,21H,1-6H3,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for the inhibition of 5-lipoxygenase in intactbasophilic rat leukemia cells				Bioorg Med Chem Lett 3: 2827-2830 (1993) Article DOI: 10.1016/S0960-894X(01)80773-3 BindingDB Entry DOI: 10.7270/Q2668D4B
					More data for this Ligand-Target Pair
Cyclooxygenase (RAT)	BDBM50046918 (2,6-Di-tert-butyl-4-[(E)-2-(5-mercapto-[1,3,4]thia...) Show SMILES CC(C)(C)c1cc(C=Cc2nnc(S)s2)cc(c1O)C(C)(C)C |w:7.6| Show InChI InChI=1S/C18H24N2OS2/c1-17(2,3)12-9-11(7-8-14-19-20-16(22)23-14)10-13(15(12)21)18(4,5)6/h7-10,21H,1-6H3,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for the inhibition of Prostaglandin G/H synthase in intact basophilic rat leukemia cells				Bioorg Med Chem Lett 3: 2827-2830 (1993) Article DOI: 10.1016/S0960-894X(01)80773-3 BindingDB Entry DOI: 10.7270/Q2668D4B
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50046918 (2,6-Di-tert-butyl-4-[(E)-2-(5-mercapto-[1,3,4]thia...) Show SMILES CC(C)(C)c1cc(C=Cc2nnc(S)s2)cc(c1O)C(C)(C)C |w:7.6| Show InChI InChI=1S/C18H24N2OS2/c1-17(2,3)12-9-11(7-8-14-19-20-16(22)23-14)10-13(15(12)21)18(4,5)6/h7-10,21H,1-6H3,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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