BDBM50075505 CHEMBL16251::N-{5-[1-(4-Hydroxy-3,5-diisopropyl-phenyl)-meth-(Z)-ylidene]-4-oxo-4,5-dihydro-thiazol-2-yl}-guanidine

SMILES: CC(C)c1cc(C=C2SC(NC(N)=N)=NC2=O)cc(C(C)C)c1O

InChI Key: InChIKey=KVRGMJQYLQFFQG-UHFFFAOYSA-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 = 50075505   

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))	BDBM50075505 (CHEMBL16251 | N-{5-[1-(4-Hydroxy-3,5-diisopropyl-p...) Show SMILES CC(C)c1cc(C=C2SC(NC(N)=N)=NC2=O)cc(C(C)C)c1O |w:6.5,c:13| Show InChI InChI=1S/C17H22N4O2S/c1-8(2)11-5-10(6-12(9(3)4)14(11)22)7-13-15(23)20-17(24-13)21-16(18)19/h5-9,22H,1-4H3,(H4,18,19,20,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	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 (Homo sapiens (Human))	BDBM50075505 (CHEMBL16251 | N-{5-[1-(4-Hydroxy-3,5-diisopropyl-p...) Show SMILES CC(C)c1cc(C=C2SC(NC(N)=N)=NC2=O)cc(C(C)C)c1O |w:6.5,c:13| Show InChI InChI=1S/C17H22N4O2S/c1-8(2)11-5-10(6-12(9(3)4)14(11)22)7-13-15(23)20-17(24-13)21-16(18)19/h5-9,22H,1-4H3,(H4,18,19,20,21,23)	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))	BDBM50075505 (CHEMBL16251 | N-{5-[1-(4-Hydroxy-3,5-diisopropyl-p...) Show SMILES CC(C)c1cc(C=C2SC(NC(N)=N)=NC2=O)cc(C(C)C)c1O |w:6.5,c:13| Show InChI InChI=1S/C17H22N4O2S/c1-8(2)11-5-10(6-12(9(3)4)14(11)22)7-13-15(23)20-17(24-13)21-16(18)19/h5-9,22H,1-4H3,(H4,18,19,20,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	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-2 (COX-2) (Mus musculus (Mouse))	BDBM50075505 (CHEMBL16251 | N-{5-[1-(4-Hydroxy-3,5-diisopropyl-p...) Show SMILES CC(C)c1cc(C=C2SC(NC(N)=N)=NC2=O)cc(C(C)C)c1O |w:6.5,c:13| Show InChI InChI=1S/C17H22N4O2S/c1-8(2)11-5-10(6-12(9(3)4)14(11)22)7-13-15(23)20-17(24-13)21-16(18)19/h5-9,22H,1-4H3,(H4,18,19,20,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	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