BDBM50001935 CHEMBL3233601

SMILES: COc1ccc(cc1)C1=C(C(=O)N(C)C1=O)c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=JGFKRLHJJAGXAW-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 = 50001935   

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-2 (COX-2) (Mus musculus (Mouse))	BDBM50001935 (CHEMBL3233601) Show SMILES COc1ccc(cc1)C1=C(C(=O)N(C)C1=O)c1ccc(cc1)S(N)(=O)=O |t:9| Show InChI InChI=1S/C18H16N2O5S/c1-20-17(21)15(11-3-7-13(25-2)8-4-11)16(18(20)22)12-5-9-14(10-6-12)26(19,23)24/h3-10H,1-2H3,(H2,19,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50001935 (CHEMBL3233601) Show SMILES COc1ccc(cc1)C1=C(C(=O)N(C)C1=O)c1ccc(cc1)S(N)(=O)=O |t:9| Show InChI InChI=1S/C18H16N2O5S/c1-20-17(21)15(11-3-7-13(25-2)8-4-11)16(18(20)22)12-5-9-14(10-6-12)26(19,23)24/h3-10H,1-2H3,(H2,19,23,24)	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	53	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins pri...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50001935 (CHEMBL3233601) Show SMILES COc1ccc(cc1)C1=C(C(=O)N(C)C1=O)c1ccc(cc1)S(N)(=O)=O |t:9| Show InChI InChI=1S/C18H16N2O5S/c1-20-17(21)15(11-3-7-13(25-2)8-4-11)16(18(20)22)12-5-9-14(10-6-12)26(19,23)24/h3-10H,1-2H3,(H2,19,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins prior to substr...				Bioorg Med Chem Lett 24: 1958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.02.074 BindingDB Entry DOI: 10.7270/Q2SN0BGQ
					More data for this Ligand-Target Pair