BDBM50044060 CHEMBL278246::N-{5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-eth-(Z)-ylidene]-4-oxo-4,5-dihydro-thiazol-2-yl}-guanidine

SMILES: [#6]C([#6])([#6])c1cc(cc(c1-[#8])C([#6])([#6])[#6])-[#6](=[#6])-c1sc(\[#7]=[#6](/[#7])-[#7])nc1-[#8]

InChI Key: InChIKey=LPCMACCRUHYIIF-UHFFFAOYSA-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 = 50044060   

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)	BDBM50044060 (CHEMBL278246 | N-{5-[1-(3,5-Di-tert-butyl-4-hydrox...) Show SMILES [#6]C([#6])([#6])c1cc(cc(c1-[#8])C([#6])([#6])[#6])-[#6](=[#6])-c1sc(\[#7]=[#6](/[#7])-[#7])nc1-[#8] Show InChI InChI=1S/C20H28N4O2S/c1-10(15-16(26)23-18(27-15)24-17(21)22)11-8-12(19(2,3)4)14(25)13(9-11)20(5,6)7/h8-9,25-26H,1H2,2-7H3,(H4,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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))	BDBM50044060 (CHEMBL278246 | N-{5-[1-(3,5-Di-tert-butyl-4-hydrox...) Show SMILES [#6]C([#6])([#6])c1cc(cc(c1-[#8])C([#6])([#6])[#6])-[#6](=[#6])-c1sc(\[#7]=[#6](/[#7])-[#7])nc1-[#8] Show InChI InChI=1S/C20H28N4O2S/c1-10(15-16(26)23-18(27-15)24-17(21)22)11-8-12(19(2,3)4)14(25)13(9-11)20(5,6)7/h8-9,25-26H,1H2,2-7H3,(H4,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	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))	BDBM50044060 (CHEMBL278246 | N-{5-[1-(3,5-Di-tert-butyl-4-hydrox...) Show SMILES [#6]C([#6])([#6])c1cc(cc(c1-[#8])C([#6])([#6])[#6])-[#6](=[#6])-c1sc(\[#7]=[#6](/[#7])-[#7])nc1-[#8] Show InChI InChI=1S/C20H28N4O2S/c1-10(15-16(26)23-18(27-15)24-17(21)22)11-8-12(19(2,3)4)14(25)13(9-11)20(5,6)7/h8-9,25-26H,1H2,2-7H3,(H4,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	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 (Homo sapiens (Human))	BDBM50044060 (CHEMBL278246 | N-{5-[1-(3,5-Di-tert-butyl-4-hydrox...) Show SMILES [#6]C([#6])([#6])c1cc(cc(c1-[#8])C([#6])([#6])[#6])-[#6](=[#6])-c1sc(\[#7]=[#6](/[#7])-[#7])nc1-[#8] Show InChI InChI=1S/C20H28N4O2S/c1-10(15-16(26)23-18(27-15)24-17(21)22)11-8-12(19(2,3)4)14(25)13(9-11)20(5,6)7/h8-9,25-26H,1H2,2-7H3,(H4,21,22,23,24)	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	1.20E+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
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse))	BDBM50044060 (CHEMBL278246 | N-{5-[1-(3,5-Di-tert-butyl-4-hydrox...) Show SMILES [#6]C([#6])([#6])c1cc(cc(c1-[#8])C([#6])([#6])[#6])-[#6](=[#6])-c1sc(\[#7]=[#6](/[#7])-[#7])nc1-[#8] Show InChI InChI=1S/C20H28N4O2S/c1-10(15-16(26)23-18(27-15)24-17(21)22)11-8-12(19(2,3)4)14(25)13(9-11)20(5,6)7/h8-9,25-26H,1H2,2-7H3,(H4,21,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	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