BindingDB PrimarySearch

BDBM50029614 (SC-57666)1-[2-(4-fluorophenyl)-1-cyclopentenyl]-4-methylsulfonylbenzene::1-[2(4-Flurophenyl)-1-cyclopentyl]4-methylsulfonylbenzene::1-[2-(4-fluorophenyl)-1-cyclopentenyl]-4-methylsulfonylbenzene::1-fluoro-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene::1-fluoro-4-{2-[4-(methylsulfonyl)phenyl]cyclopent-1-en-1-yl}benzene::CHEMBL274893::SC-57666

SMILES: CS(=O)(=O)c1ccc(cc1)C1=C(CCC1)c1ccc(F)cc1

InChI Key: InChIKey=GJGZQTGPOKPFES-UHFFFAOYSA-N

Data: 15 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50029614
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50029614 ((SC-57666)1-[2-(4-fluorophenyl)-1-cyclopentenyl]-4...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibitory activity against constitutive form of human recombinant Prostaglandin G/H synthase 1				Bioorg Med Chem Lett 5: 867-872 (1995) Article DOI: 10.1016/0960-894X(95)00131-C BindingDB Entry DOI: 10.7270/Q2P26Z3Q
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM50029614 ((SC-57666)1-[2-(4-fluorophenyl)-1-cyclopentenyl]-4...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
The M.S University of Baroda Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 expressed in Baculovirus infected sf9 cells using arachidonic acid as substrate preincubated for 10 mins follow...				Eur J Med Chem 162: 1-17 (2019) Article DOI: 10.1016/j.ejmech.2018.10.054
The M.S University of Baroda Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50029614 ((SC-57666)1-[2-(4-fluorophenyl)-1-cyclopentenyl]-4...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+6	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
Searle Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50029614 ((SC-57666)1-[2-(4-fluorophenyl)-1-cyclopentenyl]-4...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	26	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
Searle Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50029614 ((SC-57666)1-[2-(4-fluorophenyl)-1-cyclopentenyl]-4...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 1 (COX-1).				J Med Chem 39: 253-66 (1996) Article DOI: 10.1021/jm950664x BindingDB Entry DOI: 10.7270/Q2XG9Q6M
Searle Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50029614 ((SC-57666)1-[2-(4-fluorophenyl)-1-cyclopentenyl]-4...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG 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
Searle Research & Development Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50029614 ((SC-57666)1-[2-(4-fluorophenyl)-1-cyclopentenyl]-4...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
Procter & Gamble Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50029614 ((SC-57666)1-[2-(4-fluorophenyl)-1-cyclopentenyl]-4...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
Procter & Gamble Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50029614 ((SC-57666)1-[2-(4-fluorophenyl)-1-cyclopentenyl]-4...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase 1 (COX-1).				J Med Chem 41: 1124-37 (1998) Article DOI: 10.1021/jm970680p BindingDB Entry DOI: 10.7270/Q2FJ2FXD
Procter & Gamble Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50029614 ((SC-57666)1-[2-(4-fluorophenyl)-1-cyclopentenyl]-4...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	26	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
Searle Research & Development Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50029614 ((SC-57666)1-[2-(4-fluorophenyl)-1-cyclopentenyl]-4...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Inhibitory activity of the compound against prostaglandin G/H synthase 2 (COX-2).				J Med Chem 39: 253-66 (1996) Article DOI: 10.1021/jm950664x BindingDB Entry DOI: 10.7270/Q2XG9Q6M
Searle Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50029614 ((SC-57666)1-[2-(4-fluorophenyl)-1-cyclopentenyl]-4...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibitory activity against inducible form of human recombinant Prostaglandin G/H synthase 1				Bioorg Med Chem Lett 5: 867-872 (1995) Article DOI: 10.1016/0960-894X(95)00131-C BindingDB Entry DOI: 10.7270/Q2P26Z3Q
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50029614 ((SC-57666)1-[2-(4-fluorophenyl)-1-cyclopentenyl]-4...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human recombinant Prostaglandin G/H synthase 2 expressed in microsomes taken from baculovirus infected Sf...				Bioorg Med Chem Lett 6: 87-92 (1996) Article DOI: 10.1016/0960-894X(95)00564-A BindingDB Entry DOI: 10.7270/Q20C4VR4
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50029614 ((SC-57666)1-[2-(4-fluorophenyl)-1-cyclopentenyl]-4...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	25.7	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
Universit£ de Lille 2 Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50029614 ((SC-57666)1-[2-(4-fluorophenyl)-1-cyclopentenyl]-4...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human recombinant Prostaglandin G/H synthase 1 expressed in microsomes taken from baculovirus infected Sf...				Bioorg Med Chem Lett 6: 87-92 (1996) Article DOI: 10.1016/0960-894X(95)00564-A BindingDB Entry DOI: 10.7270/Q20C4VR4
TBA Curated by ChEMBL					More data for this Ligand-Target Pair