BDBM50308740 CHEMBL600167::Isopropyl-2-methyl-5-[4-(methylsulfonyl)phenyl]-1-[4-(methoxy)phenyl]-1H-pyrrol-3-acetate

SMILES: COc1ccc(cc1)-n1c(C)c(CC(=O)OC(C)C)cc1-c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=DIAXEKVKEMBQHV-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 = 50308740   

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))	BDBM50308740 (CHEMBL600167 | Isopropyl-2-methyl-5-[4-(methylsulf...) Show SMILES COc1ccc(cc1)-n1c(C)c(CC(=O)OC(C)C)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C24H27NO5S/c1-16(2)30-24(26)15-19-14-23(18-6-12-22(13-7-18)31(5,27)28)25(17(19)3)20-8-10-21(29-4)11-9-20/h6-14,16H,15H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 10 uM by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
					More data for this Ligand-Target Pair
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse))	BDBM50308740 (CHEMBL600167 | Isopropyl-2-methyl-5-[4-(methylsulf...) Show SMILES COc1ccc(cc1)-n1c(C)c(CC(=O)OC(C)C)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C24H27NO5S/c1-16(2)30-24(26)15-19-14-23(18-6-12-22(13-7-18)31(5,27)28)25(17(19)3)20-8-10-21(29-4)11-9-20/h6-14,16H,15H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus)	BDBM50308740 (CHEMBL600167 | Isopropyl-2-methyl-5-[4-(methylsulf...) Show SMILES COc1ccc(cc1)-n1c(C)c(CC(=O)OC(C)C)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C24H27NO5S/c1-16(2)30-24(26)15-19-14-23(18-6-12-22(13-7-18)31(5,27)28)25(17(19)3)20-8-10-21(29-4)11-9-20/h6-14,16H,15H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX1-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
					More data for this Ligand-Target Pair
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse))	BDBM50308740 (CHEMBL600167 | Isopropyl-2-methyl-5-[4-(methylsulf...) Show SMILES COc1ccc(cc1)-n1c(C)c(CC(=O)OC(C)C)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C24H27NO5S/c1-16(2)30-24(26)15-19-14-23(18-6-12-22(13-7-18)31(5,27)28)25(17(19)3)20-8-10-21(29-4)11-9-20/h6-14,16H,15H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 1 uM by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
					More data for this Ligand-Target Pair