BDBM50156581 3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxymethyl]-1-(4-methoxyphenyl)-5-phenyl-1H-pyrazole::CHEMBL222480

SMILES: COc1ccc(cc1)-n1nc(COc2cc(F)cc(c2)C2(CCOCC2)OC)cc1-c1ccccc1

InChI Key: InChIKey=QWTBQYLKKFHZCI-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 = 50156581   

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))	BDBM50156581 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COc1ccc(cc1)-n1nc(COc2cc(F)cc(c2)C2(CCOCC2)OC)cc1-c1ccccc1 Show InChI InChI=1S/C29H29FN2O4/c1-33-26-10-8-25(9-11-26)32-28(21-6-4-3-5-7-21)19-24(31-32)20-36-27-17-22(16-23(30)18-27)29(34-2)12-14-35-15-13-29/h3-11,16-19H,12-15,20H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX1 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50156581 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COc1ccc(cc1)-n1nc(COc2cc(F)cc(c2)C2(CCOCC2)OC)cc1-c1ccccc1 Show InChI InChI=1S/C29H29FN2O4/c1-33-26-10-8-25(9-11-26)32-28(21-6-4-3-5-7-21)19-24(31-32)20-36-27-17-22(16-23(30)18-27)29(34-2)12-14-35-15-13-29/h3-11,16-19H,12-15,20H2,1-2H3	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50156581 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COc1ccc(cc1)-n1nc(COc2cc(F)cc(c2)C2(CCOCC2)OC)cc1-c1ccccc1 Show InChI InChI=1S/C29H29FN2O4/c1-33-26-10-8-25(9-11-26)32-28(21-6-4-3-5-7-21)19-24(31-32)20-36-27-17-22(16-23(30)18-27)29(34-2)12-14-35-15-13-29/h3-11,16-19H,12-15,20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair