BDBM50336971 5-(4-iodophenyl)-1-(4-(methylsulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole::CHEMBL1672583

SMILES: CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(I)cc1)C(F)(F)F

InChI Key: InChIKey=NIUAGEVCVWHMTA-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 = 50336971   

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 (Homo sapiens (Human))	BDBM50336971 (5-(4-iodophenyl)-1-(4-(methylsulfonyl)phenyl)-3-(t...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(I)cc1)C(F)(F)F Show InChI InChI=1S/C17H12F3IN2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-15(10-16(22-23)17(18,19)20)11-2-4-12(21)5-3-11/h2-10H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of COX-2 (unknown origin)				Bioorg Med Chem Lett 26: 1516-20 (2016) BindingDB Entry DOI: 10.7270/Q2377BKC
					More data for this Ligand-Target Pair
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse))	BDBM50336971 (5-(4-iodophenyl)-1-(4-(methylsulfonyl)phenyl)-3-(t...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(I)cc1)C(F)(F)F Show InChI InChI=1S/C17H12F3IN2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-15(10-16(22-23)17(18,19)20)11-2-4-12(21)5-3-11/h2-10H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of COX2 in mouse LPS-stimulated RAW264.7 cells after 30 mins				ACS Med Chem Lett 2: 160-164 (2011) Article DOI: 10.1021/ml100232q BindingDB Entry DOI: 10.7270/Q25T3MG9
					More data for this Ligand-Target Pair
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse))	BDBM50336971 (5-(4-iodophenyl)-1-(4-(methylsulfonyl)phenyl)-3-(t...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(I)cc1)C(F)(F)F Show InChI InChI=1S/C17H12F3IN2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-15(10-16(22-23)17(18,19)20)11-2-4-12(21)5-3-11/h2-10H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of mouse purified COX2 after 20 mins				ACS Med Chem Lett 2: 160-164 (2011) Article DOI: 10.1021/ml100232q BindingDB Entry DOI: 10.7270/Q25T3MG9
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50336971 (5-(4-iodophenyl)-1-(4-(methylsulfonyl)phenyl)-3-(t...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(I)cc1)C(F)(F)F Show InChI InChI=1S/C17H12F3IN2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-15(10-16(22-23)17(18,19)20)11-2-4-12(21)5-3-11/h2-10H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ovine purified COX1 after 20 mins				ACS Med Chem Lett 2: 160-164 (2011) Article DOI: 10.1021/ml100232q BindingDB Entry DOI: 10.7270/Q25T3MG9
					More data for this Ligand-Target Pair