BindingDB PrimarySearch

null

SMILES: CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O

InChI Key: InChIKey=KTDZCOWXCWUPEO-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 70 hits for monomerid = 50029593
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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029593 (CHEMBL7162 \| N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory concentration required against COX-2 activity in intact human monocytes				Bioorg Med Chem Lett 8: 1169-74 (1999) BindingDB Entry DOI: 10.7270/Q20865S1
Universidad de Valencia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50029593 (CHEMBL7162 \| N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yeungnam University Curated by ChEMBL					Assay Description Inhibitory activity against murine prostaglandin G/H synthase 1.				Bioorg Med Chem Lett 14: 2559-62 (2004) Article DOI: 10.1016/j.bmcl.2004.02.099 BindingDB Entry DOI: 10.7270/Q2VD7005
Yeungnam University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029593 (CHEMBL7162 \| N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production				Bioorg Med Chem 16: 2697-706 (2008) Article DOI: 10.1016/j.bmc.2007.11.033 BindingDB Entry DOI: 10.7270/Q2CR5V6J
Taipei Medical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50029593 (CHEMBL7162 \| N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as effect on A-23187-stimulated TxB2 production				Bioorg Med Chem 16: 2697-706 (2008) Article DOI: 10.1016/j.bmc.2007.11.033 BindingDB Entry DOI: 10.7270/Q2CR5V6J
Taipei Medical University Curated by ChEMBL					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50029593 (CHEMBL7162 \| N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of aromatase in human SKBR3 cells by tritiated water release assay				J Med Chem 51: 1126-35 (2008) Article DOI: 10.1021/jm701107h BindingDB Entry DOI: 10.7270/Q2FQ9XGR
The Ohio State University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin E synthase (Mus musculus)	BDBM50029593 (CHEMBL7162 \| N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in mouse RAW264.7 cells assessed as reduction in LPS-induced PGE2 production after 24 hrs				Bioorg Med Chem Lett 26: 5193-5197 (2016) Article DOI: 10.1016/j.bmcl.2016.09.070 BindingDB Entry DOI: 10.7270/Q2W097WN
Kyung Hee University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50029593 (CHEMBL7162 \| N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by enzyme immunoassay				Bioorg Med Chem Lett 26: 5193-5197 (2016) Article DOI: 10.1016/j.bmcl.2016.09.070 BindingDB Entry DOI: 10.7270/Q2W097WN
Kyung Hee University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029593 (CHEMBL7162 \| N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 by enzyme immunoassay				Bioorg Med Chem Lett 26: 5193-5197 (2016) Article DOI: 10.1016/j.bmcl.2016.09.070 BindingDB Entry DOI: 10.7270/Q2W097WN
Kyung Hee University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029593 (CHEMBL7162 \| N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of COX2				J Nat Prod 68: 985-91 (2005) Article DOI: 10.1021/np049655u BindingDB Entry DOI: 10.7270/Q27S7PN5
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029593 (CHEMBL7162 \| N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of COX2-catalyzed prostaglandin biosynthesis after 10 mins of preincubation				J Nat Prod 61: 1212-5 (1998) Article DOI: 10.1021/np980088i BindingDB Entry DOI: 10.7270/Q26W9BZJ
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50029593 (CHEMBL7162 \| N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of COX1-catalyzed prostaglandin biosynthesis 10 mins of preincubation				J Nat Prod 61: 1212-5 (1998) Article DOI: 10.1021/np980088i BindingDB Entry DOI: 10.7270/Q26W9BZJ
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Bos taurus)	BDBM50029593 (CHEMBL7162 \| N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of bovine seminal microsomal COX1 assessed as PGE2 production preincubated for 10 mins				J Nat Prod 61: 2-7 (1998) Article DOI: 10.1021/np970343j BindingDB Entry DOI: 10.7270/Q2JS9RBH
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50029593 (CHEMBL7162 \| N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of sheep placental cotyledons COX2 assessed as PGE2 production preincubated for 10 mins				J Nat Prod 61: 2-7 (1998) Article DOI: 10.1021/np970343j BindingDB Entry DOI: 10.7270/Q2JS9RBH
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50029593 (CHEMBL7162 \| N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kookmin University Curated by ChEMBL					Assay Description Inhibition of microsomal PGES1 using PGH2 as substrate by RP-HPLC method				Bioorg Med Chem Lett 22: 7335-9 (2012) Article DOI: 10.1016/j.bmcl.2012.10.085 BindingDB Entry DOI: 10.7270/Q2VH5Q04
Kookmin University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50029593 (CHEMBL7162 \| N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of sheep placental COX2 assessed as PGE2 production by enzyme immunoassay				J Nat Prod 74: 1779-86 (2011) Article DOI: 10.1021/np200343t BindingDB Entry DOI: 10.7270/Q26974ND
University of Innsbruck Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029593 (CHEMBL7162 \| N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hacettepe University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as inhibition of PGF2alpha production from PGH2 by enzyme immunoassay				Eur J Med Chem 57: 59-64 (2012) Article DOI: 10.1016/j.ejmech.2012.08.046 BindingDB Entry DOI: 10.7270/Q28C9XBZ
Hacettepe University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50029593 (CHEMBL7162 \| N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hacettepe University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as inhibition of PGF2alpha production from PGH2 by enzyme immuno assay				Eur J Med Chem 57: 59-64 (2012) Article DOI: 10.1016/j.ejmech.2012.08.046 BindingDB Entry DOI: 10.7270/Q28C9XBZ
Hacettepe University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50029593 (CHEMBL7162 \| N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<2	n/a	n/a	n/a	n/a	n/a	n/a
Yeungnam University Curated by ChEMBL					Assay Description Inhibitory activity against murine Prostaglandin G/H synthase 2.				Bioorg Med Chem Lett 14: 2559-62 (2004) Article DOI: 10.1016/j.bmcl.2004.02.099 BindingDB Entry DOI: 10.7270/Q2VD7005
Yeungnam University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029593 (CHEMBL7162 \| N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Tecnol£gica de Pereira Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate preincubated for 20 mins followed by substrate addition measured at 1 sec int...				Eur J Med Chem 162: 435-447 (2019) Article DOI: 10.1016/j.ejmech.2018.11.027 BindingDB Entry DOI: 10.7270/Q2DZ0CMM
Universidad Tecnol£gica de Pereira Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029593 (CHEMBL7162 \| N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Tecnol£gica de Pereira Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 assessed as decrease in PGE2 release after 10 mins by ELISA				Eur J Med Chem 162: 435-447 (2019) Article DOI: 10.1016/j.ejmech.2018.11.027 BindingDB Entry DOI: 10.7270/Q2DZ0CMM
Universidad Tecnol£gica de Pereira Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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