BDBM50326531 (1-(2-fluorophenyl)-1H-pyrrol-3-yl)(4-(methylsulfonyl)phenyl)methanone::CHEMBL1243067

SMILES: CS(=O)(=O)c1ccc(cc1)C(=O)c1ccn(c1)-c1ccccc1F

InChI Key: InChIKey=DAUXFNDEYXUIPZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50326531   

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
Prostaglandin G/H synthase (Cyclooxygenase-2) (Ovis aries (Sheep))	BDBM50326531 ((1-(2-fluorophenyl)-1H-pyrrol-3-yl)(4-(methylsulfo...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)c1ccn(c1)-c1ccccc1F Show InChI InChI=1S/C18H14FNO3S/c1-24(22,23)15-8-6-13(7-9-15)18(21)14-10-11-20(12-14)17-5-3-2-4-16(17)19/h2-12H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of sheep COX2 by spectrophotometry				J Med Chem 53: 6560-71 (2010) Article DOI: 10.1021/jm100398z BindingDB Entry DOI: 10.7270/Q21R6QQW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50326531 ((1-(2-fluorophenyl)-1H-pyrrol-3-yl)(4-(methylsulfo...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)c1ccn(c1)-c1ccccc1F Show InChI InChI=1S/C18H14FNO3S/c1-24(22,23)15-8-6-13(7-9-15)18(21)14-10-11-20(12-14)17-5-3-2-4-16(17)19/h2-12H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of sheep COX1 by spectrophotometry				J Med Chem 53: 6560-71 (2010) Article DOI: 10.1021/jm100398z BindingDB Entry DOI: 10.7270/Q21R6QQW
					More data for this Ligand-Target Pair