BDBM50272096 3-(4-methoxyphenyl)-2-(4-(methylsulfonyl)phenyl)-1H-indole::CHEMBL499069

SMILES: COc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=COKDBCCJSNVXKO-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 = 50272096   

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))	BDBM50272096 (3-(4-methoxyphenyl)-2-(4-(methylsulfonyl)phenyl)-1...) Show SMILES COc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H19NO3S/c1-26-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)23-22(21)16-9-13-18(14-10-16)27(2,24)25/h3-14,23H,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	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus (Mouse))	BDBM50272096 (3-(4-methoxyphenyl)-2-(4-(methylsulfonyl)phenyl)-1...) Show SMILES COc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H19NO3S/c1-26-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)23-22(21)16-9-13-18(14-10-16)27(2,24)25/h3-14,23H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of COX2 in Mus musculus (mouse) peritoneal macrophage				Citation and Details Article DOI: 10.1007/s00044-008-9117-0 BindingDB Entry DOI: 10.7270/Q25T3PBB
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50272096 (3-(4-methoxyphenyl)-2-(4-(methylsulfonyl)phenyl)-1...) Show SMILES COc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H19NO3S/c1-26-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)23-22(21)16-9-13-18(14-10-16)27(2,24)25/h3-14,23H,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	20	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem 20: 3410-21 (2012) Article DOI: 10.1016/j.bmc.2012.04.022 BindingDB Entry DOI: 10.7270/Q2RF5W3X
					More data for this Ligand-Target Pair