BDBM50029613 1-Methoxy-4-(2-(4-(methanesulfonyl)phenyl)cyclopent-1-enyl)-benzene::1-methoxy-4-(2-(4-(methylsulfonyl)phenyl)cyclopent-1-enyl)benzene::1-methoxy-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene::1-methoxy-4-{2-[4-(methylsulfonyl)phenyl]cyclopent-1-en-1-yl}benzene::4-[2-(3,4-Dichloro-phenyl)-cyclopent-1-enyl]-benzenesulfonamide::CHEMBL108201

SMILES: COc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=RAUHMMADXJJVRP-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50029613   

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-1 (COX-1) (Homo sapiens (Human))	BDBM50029613 (1-Methoxy-4-(2-(4-(methanesulfonyl)phenyl)cyclopen...) Show SMILES COc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:9| Show InChI InChI=1S/C19H20O3S/c1-22-16-10-6-14(7-11-16)18-4-3-5-19(18)15-8-12-17(13-9-15)23(2,20)21/h6-13H,3-5H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of prostaglandin G/H synthase 1.				J Med Chem 38: 4570-8 (1995) BindingDB Entry DOI: 10.7270/Q23N22D2
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50029613 (1-Methoxy-4-(2-(4-(methanesulfonyl)phenyl)cyclopen...) Show SMILES COc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:9| Show InChI InChI=1S/C19H20O3S/c1-22-16-10-6-14(7-11-16)18-4-3-5-19(18)15-8-12-17(13-9-15)23(2,20)21/h6-13H,3-5H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of prostaglandin G/H synthase 2 (COX-2).				J Med Chem 38: 4570-8 (1995) BindingDB Entry DOI: 10.7270/Q23N22D2
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50029613 (1-Methoxy-4-(2-(4-(methanesulfonyl)phenyl)cyclopen...) Show SMILES COc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:9| Show InChI InChI=1S/C19H20O3S/c1-22-16-10-6-14(7-11-16)18-4-3-5-19(18)15-8-12-17(13-9-15)23(2,20)21/h6-13H,3-5H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research & Development Curated by ChEMBL					Assay Description Tested for inhibition against Prostaglandin G/H synthase 1				J Med Chem 37: 3878-81 (1994) BindingDB Entry DOI: 10.7270/Q26D5S1G
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50029613 (1-Methoxy-4-(2-(4-(methanesulfonyl)phenyl)cyclopen...) Show SMILES COc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:9| Show InChI InChI=1S/C19H20O3S/c1-22-16-10-6-14(7-11-16)18-4-3-5-19(18)15-8-12-17(13-9-15)23(2,20)21/h6-13H,3-5H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research & Development Curated by ChEMBL					Assay Description Tested for inhibition against Prostaglandin G/H synthase 2				J Med Chem 37: 3878-81 (1994) BindingDB Entry DOI: 10.7270/Q26D5S1G
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50029613 (1-Methoxy-4-(2-(4-(methanesulfonyl)phenyl)cyclopen...) Show SMILES COc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:9| Show InChI InChI=1S/C19H20O3S/c1-22-16-10-6-14(7-11-16)18-4-3-5-19(18)15-8-12-17(13-9-15)23(2,20)21/h6-13H,3-5H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 2 Curated by ChEMBL					Assay Description Inhibition of human Prostaglandin G/H synthase 2				J Med Chem 44: 3223-30 (2001) BindingDB Entry DOI: 10.7270/Q2736S4D
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50029613 (1-Methoxy-4-(2-(4-(methanesulfonyl)phenyl)cyclopen...) Show SMILES COc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:9| Show InChI InChI=1S/C19H20O3S/c1-22-16-10-6-14(7-11-16)18-4-3-5-19(18)15-8-12-17(13-9-15)23(2,20)21/h6-13H,3-5H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of COX1 by enzyme immunoassay				Bioorg Med Chem 17: 1146-51 (2009) Article DOI: 10.1016/j.bmc.2008.12.032 BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50029613 (1-Methoxy-4-(2-(4-(methanesulfonyl)phenyl)cyclopen...) Show SMILES COc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:9| Show InChI InChI=1S/C19H20O3S/c1-22-16-10-6-14(7-11-16)18-4-3-5-19(18)15-8-12-17(13-9-15)23(2,20)21/h6-13H,3-5H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem 16: 7662-70 (2008) Article DOI: 10.1016/j.bmc.2008.07.016 BindingDB Entry DOI: 10.7270/Q2K64HXS
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50029613 (1-Methoxy-4-(2-(4-(methanesulfonyl)phenyl)cyclopen...) Show SMILES COc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:9| Show InChI InChI=1S/C19H20O3S/c1-22-16-10-6-14(7-11-16)18-4-3-5-19(18)15-8-12-17(13-9-15)23(2,20)21/h6-13H,3-5H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of COX2 by enzyme immunoassay				Bioorg Med Chem 17: 1146-51 (2009) Article DOI: 10.1016/j.bmc.2008.12.032 BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50029613 (1-Methoxy-4-(2-(4-(methanesulfonyl)phenyl)cyclopen...) Show SMILES COc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:9| Show InChI InChI=1S/C19H20O3S/c1-22-16-10-6-14(7-11-16)18-4-3-5-19(18)15-8-12-17(13-9-15)23(2,20)21/h6-13H,3-5H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 16: 7662-70 (2008) Article DOI: 10.1016/j.bmc.2008.07.016 BindingDB Entry DOI: 10.7270/Q2K64HXS
					More data for this Ligand-Target Pair