BDBM50151776 3-(2,4-Difluoro-phenylsulfanyl)-6-methanesulfonyl-1H-indole-2-carboxylic acid methyl ester::CHEMBL183101

SMILES: COC(=O)c1[nH]c2cc(ccc2c1Sc1ccc(F)cc1F)S(C)(=O)=O

InChI Key: InChIKey=YMNRYTSZOBEQFB-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 = 50151776   

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))	BDBM50151776 (3-(2,4-Difluoro-phenylsulfanyl)-6-methanesulfonyl-...) Show SMILES COC(=O)c1[nH]c2cc(ccc2c1Sc1ccc(F)cc1F)S(C)(=O)=O Show InChI InChI=1S/C17H13F2NO4S2/c1-24-17(21)15-16(25-14-6-3-9(18)7-12(14)19)11-5-4-10(26(2,22)23)8-13(11)20-15/h3-8,20H,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	380	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined				Bioorg Med Chem Lett 14: 4741-5 (2004) Article DOI: 10.1016/j.bmcl.2004.06.075 BindingDB Entry DOI: 10.7270/Q228072S
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50151776 (3-(2,4-Difluoro-phenylsulfanyl)-6-methanesulfonyl-...) Show SMILES COC(=O)c1[nH]c2cc(ccc2c1Sc1ccc(F)cc1F)S(C)(=O)=O Show InChI InChI=1S/C17H13F2NO4S2/c1-24-17(21)15-16(25-14-6-3-9(18)7-12(14)19)11-5-4-10(26(2,22)23)8-13(11)20-15/h3-8,20H,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	380	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity				Bioorg Med Chem Lett 14: 4741-5 (2004) Article DOI: 10.1016/j.bmcl.2004.06.075 BindingDB Entry DOI: 10.7270/Q228072S
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50151776 (3-(2,4-Difluoro-phenylsulfanyl)-6-methanesulfonyl-...) Show SMILES COC(=O)c1[nH]c2cc(ccc2c1Sc1ccc(F)cc1F)S(C)(=O)=O Show InChI InChI=1S/C17H13F2NO4S2/c1-24-17(21)15-16(25-14-6-3-9(18)7-12(14)19)11-5-4-10(26(2,22)23)8-13(11)20-15/h3-8,20H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibitory concentration against human whole blood Prostaglandin G/H synthase 1 enzyme activity				Bioorg Med Chem Lett 14: 4741-5 (2004) Article DOI: 10.1016/j.bmcl.2004.06.075 BindingDB Entry DOI: 10.7270/Q228072S
					More data for this Ligand-Target Pair