BDBM50057877 4-[2-(4-Fluoro-phenyl)-pyrrol-1-yl]-benzenesulfonamide::CHEMBL43511

SMILES: NS(=O)(=O)c1ccc(cc1)-n1cccc1-c1ccc(F)cc1

InChI Key: InChIKey=GOJNWJGEIYVWOM-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 = 50057877   

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))	BDBM50057877 (4-[2-(4-Fluoro-phenyl)-pyrrol-1-yl]-benzenesulfona...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cccc1-c1ccc(F)cc1 Show InChI InChI=1S/C16H13FN2O2S/c17-13-5-3-12(4-6-13)16-2-1-11-19(16)14-7-9-15(10-8-14)22(18,20)21/h1-11H,(H2,18,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity against human prostaglandin G/H synthase 1				J Med Chem 40: 1619-33 (1997) Article DOI: 10.1021/jm970036a BindingDB Entry DOI: 10.7270/Q2K073B8
					More data for this Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM50057877 (4-[2-(4-Fluoro-phenyl)-pyrrol-1-yl]-benzenesulfona...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cccc1-c1ccc(F)cc1 Show InChI InChI=1S/C16H13FN2O2S/c17-13-5-3-12(4-6-13)16-2-1-11-19(16)14-7-9-15(10-8-14)22(18,20)21/h1-11H,(H2,18,20,21)	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	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
The M.S University of Baroda Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 expressed in Baculovirus infected sf9 cells using arachidonic acid as substrate preincubated for 10 mins follow...				Eur J Med Chem 162: 1-17 (2019) Article DOI: 10.1016/j.ejmech.2018.10.054
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50057877 (4-[2-(4-Fluoro-phenyl)-pyrrol-1-yl]-benzenesulfona...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cccc1-c1ccc(F)cc1 Show InChI InChI=1S/C16H13FN2O2S/c17-13-5-3-12(4-6-13)16-2-1-11-19(16)14-7-9-15(10-8-14)22(18,20)21/h1-11H,(H2,18,20,21)	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	14.1	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 2 Curated by ChEMBL					Assay Description Inhibition of human Prostaglandin G/H synthase 2				J Med Chem 44: 3223-30 (2001) BindingDB Entry DOI: 10.7270/Q2736S4D
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50057877 (4-[2-(4-Fluoro-phenyl)-pyrrol-1-yl]-benzenesulfona...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cccc1-c1ccc(F)cc1 Show InChI InChI=1S/C16H13FN2O2S/c17-13-5-3-12(4-6-13)16-2-1-11-19(16)14-7-9-15(10-8-14)22(18,20)21/h1-11H,(H2,18,20,21)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity against human prostaglandin G/H synthase 2				J Med Chem 40: 1619-33 (1997) Article DOI: 10.1021/jm970036a BindingDB Entry DOI: 10.7270/Q2K073B8
					More data for this Ligand-Target Pair