BDBM50029625 1-methyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene::4-[2-(3-Chloro-4-dimethylamino-phenyl)-cyclopent-1-enyl]-benzenesulfonamide::CHEMBL127674

SMILES: Cc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=DFLFDHXLMTYYEI-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 = 50029625   

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))	BDBM50029625 (1-methyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopent...) Show SMILES Cc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:8| Show InChI InChI=1S/C19H20O2S/c1-14-6-8-15(9-7-14)18-4-3-5-19(18)16-10-12-17(13-11-16)22(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	>1.00E+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 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))	BDBM50029625 (1-methyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopent...) Show SMILES Cc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:8| Show InChI InChI=1S/C19H20O2S/c1-14-6-8-15(9-7-14)18-4-3-5-19(18)16-10-12-17(13-11-16)22(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	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 2				J Med Chem 37: 3878-81 (1994) BindingDB Entry DOI: 10.7270/Q26D5S1G
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50029625 (1-methyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopent...) Show SMILES Cc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:8| Show InChI InChI=1S/C19H20O2S/c1-14-6-8-15(9-7-14)18-4-3-5-19(18)16-10-12-17(13-11-16)22(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	>1.00E+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 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))	BDBM50029625 (1-methyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopent...) Show SMILES Cc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:8| Show InChI InChI=1S/C19H20O2S/c1-14-6-8-15(9-7-14)18-4-3-5-19(18)16-10-12-17(13-11-16)22(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	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 2 (COX-2).				J Med Chem 38: 4570-8 (1995) BindingDB Entry DOI: 10.7270/Q23N22D2
					More data for this Ligand-Target Pair