BDBM50075510 5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)-ylidene]-2-methoxyamino-thiazol-4-one::CHEMBL15791

SMILES: CONC1=NC(=O)C(S1)=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C

InChI Key: InChIKey=ZJFXWSPUWDWLPL-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 = 50075510   

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
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50075510 (5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...) Show SMILES CONC1=NC(=O)C(S1)=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:9.10,t:3| Show InChI InChI=1S/C19H26N2O3S/c1-18(2,3)12-8-11(9-13(15(12)22)19(4,5)6)10-14-16(23)20-17(25-14)21-24-7/h8-10,22H,1-7H3,(H,20,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	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 1 of human platelet rich plasma; Not active				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))	BDBM50075510 (5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...) Show SMILES CONC1=NC(=O)C(S1)=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:9.10,t:3| Show InChI InChI=1S/C19H26N2O3S/c1-18(2,3)12-8-11(9-13(15(12)22)19(4,5)6)10-14-16(23)20-17(25-14)21-24-7/h8-10,22H,1-7H3,(H,20,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	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))	BDBM50075510 (5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...) Show SMILES CONC1=NC(=O)C(S1)=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:9.10,t:3| Show InChI InChI=1S/C19H26N2O3S/c1-18(2,3)12-8-11(9-13(15(12)22)19(4,5)6)10-14-16(23)20-17(25-14)21-24-7/h8-10,22H,1-7H3,(H,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+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