BDBM50008954 3-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-1-methoxy-pyrrolidin-2-one::3-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(E)-ylidene]-1-methoxy-pyrrolidin-2-one::CHEMBL12594::E-5110

SMILES: CON1CC\C(=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)C1=O

InChI Key: InChIKey=NJTQENWDJVHUOX-GXDHUFHOSA-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 = 50008954   

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)	BDBM50008954 (3-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-1-meth...) Show SMILES CON1CC\C(=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)C1=O Show InChI InChI=1S/C20H29NO3/c1-19(2,3)15-11-13(12-16(17(15)22)20(4,5)6)10-14-8-9-21(24-7)18(14)23/h10-12,22H,8-9H2,1-7H3/b14-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells				J Med Chem 34: 518-25 (1991) BindingDB Entry DOI: 10.7270/Q2ZG6R66
					More data for this Ligand-Target Pair
Cyclooxygenase (RAT)	BDBM50008954 (3-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-1-meth...) Show SMILES CON1CC\C(=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)C1=O Show InChI InChI=1S/C20H29NO3/c1-19(2,3)15-11-13(12-16(17(15)22)20(4,5)6)10-14-8-9-21(24-7)18(14)23/h10-12,22H,8-9H2,1-7H3/b14-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibitory activity against cyclooxygenase in rat basophilic leukemia cells using prostaglandin G/H synthase assay				J Med Chem 34: 518-25 (1991) BindingDB Entry DOI: 10.7270/Q2ZG6R66
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50008954 (3-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-1-meth...) Show SMILES CON1CC\C(=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)C1=O Show InChI InChI=1S/C20H29NO3/c1-19(2,3)15-11-13(12-16(17(15)22)20(4,5)6)10-14-8-9-21(24-7)18(14)23/h10-12,22H,8-9H2,1-7H3/b14-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Tested for inhibition of 5-LO by measuring 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
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50008954 (3-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-1-meth...) Show SMILES CON1CC\C(=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)C1=O Show InChI InChI=1S/C20H29NO3/c1-19(2,3)15-11-13(12-16(17(15)22)20(4,5)6)10-14-8-9-21(24-7)18(14)23/h10-12,22H,8-9H2,1-7H3/b14-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	560	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