BDBM50495260 CHEMBL3104551

SMILES: Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1)C(N)C(=O)NCCO

InChI Key: InChIKey=MSKAWBBFSHBBTI-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 = 50495260   

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) (Mus musculus (Mouse))	BDBM50495260 (CHEMBL3104551) Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1)C(N)C(=O)NCCO Show InChI InChI=1S/C22H24FN3O4S/c1-14-19(21(24)22(28)25-10-11-27)13-20(26(14)17-5-3-4-16(23)12-17)15-6-8-18(9-7-15)31(2,29)30/h3-9,12-13,21,27H,10-11,24H2,1-2H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of LPS-induced COX-2 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincu...				Bioorg Med Chem 22: 772-86 (2014) Article DOI: 10.1016/j.bmc.2013.12.008 BindingDB Entry DOI: 10.7270/Q2K0777K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus)	BDBM50495260 (CHEMBL3104551) Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1)C(N)C(=O)NCCO Show InChI InChI=1S/C22H24FN3O4S/c1-14-19(21(24)22(28)25-10-11-27)13-20(26(14)17-5-3-4-16(23)12-17)15-6-8-18(9-7-15)31(2,29)30/h3-9,12-13,21,27H,10-11,24H2,1-2H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-1 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincubated for 15...				Bioorg Med Chem 22: 772-86 (2014) Article DOI: 10.1016/j.bmc.2013.12.008 BindingDB Entry DOI: 10.7270/Q2K0777K
					More data for this Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM50495260 (CHEMBL3104551) Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1)C(N)C(=O)NCCO Show InChI InChI=1S/C22H24FN3O4S/c1-14-19(21(24)22(28)25-10-11-27)13-20(26(14)17-5-3-4-16(23)12-17)15-6-8-18(9-7-15)31(2,29)30/h3-9,12-13,21,27H,10-11,24H2,1-2H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2 in human whole blood assessed as prostaglandin E2 production by RIA				Bioorg Med Chem 22: 772-86 (2014) Article DOI: 10.1016/j.bmc.2013.12.008 BindingDB Entry DOI: 10.7270/Q2K0777K
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50495260 (CHEMBL3104551) Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1)C(N)C(=O)NCCO Show InChI InChI=1S/C22H24FN3O4S/c1-14-19(21(24)22(28)25-10-11-27)13-20(26(14)17-5-3-4-16(23)12-17)15-6-8-18(9-7-15)31(2,29)30/h3-9,12-13,21,27H,10-11,24H2,1-2H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-1 in human whole blood assessed as thromboxane B2 production by RIA				Bioorg Med Chem 22: 772-86 (2014) Article DOI: 10.1016/j.bmc.2013.12.008 BindingDB Entry DOI: 10.7270/Q2K0777K
					More data for this Ligand-Target Pair