Affinity Data by PDB ID

PDB code 3N8W

Identical Ligands in BindingDB

Found 13 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Prostaglandin G/H synthase 1 (518/553 = 94%)^† (Homo sapiens (Human))	BDBM50074922 ((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid \|...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Bartholomew's and the Royal London School of Medicine and Dentistry Curated by PDSP K_i Database									Proc Natl Acad Sci U S A 96: 7563-8 (1999) Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (518/553 = 94%)^† (Homo sapiens (Human))	BDBM50074922 ((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid \|...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dallas Department of Veterans Affairs Medical Center Curated by PDSP K_i Database									Am J Med 104: 413-21 (1998) Article DOI: 10.1016/s0002-9343(98)00091-6 BindingDB Entry DOI: 10.7270/Q2F18X97
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (550/553 > 99%)^† (Ovis aries (Sheep))	BDBM50074922 ((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid \|...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Binding affinity of compound towards prostaglandin G/H synthase 1 was evaluated				Bioorg Med Chem Lett 14: 667-71 (2004) BindingDB Entry DOI: 10.7270/Q2N29WC9
Drexel University College of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (518/553 = 94%)^† (Homo sapiens (Human))	BDBM50074922 ((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid \|...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Chemical Biology and Center in Molecular Toxicology Curated by ChEMBL					Assay Description Inhibition of COX1				J Med Chem 50: 1425-41 (2007) Article DOI: 10.1021/jm0613166 BindingDB Entry DOI: 10.7270/Q2P26XTQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (550/553 > 99%)^† (Ovis aries (Sheep))	BDBM50074922 ((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid \|...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against Prostaglandin G/H synthase 1 in sheep				Bioorg Med Chem Lett 9: 307-12 (1999) BindingDB Entry DOI: 10.7270/Q2H994CC
Merck Frosst Canada Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (550/553 > 99%)^† (Ovis aries (Sheep))	BDBM50074922 ((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid \|...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Reverisible competitive inhibition of prostaglandin G/H synthase 1				Bioorg Med Chem Lett 14: 667-71 (2004) BindingDB Entry DOI: 10.7270/Q2N29WC9
Drexel University College of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (485/553 = 88%)^† (RAT)	BDBM50172479 ((S)-FLURBIPROFEN \| CHEMBL435298) Show SMILES C[C@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI	PDB MMDB 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	30	n/a	n/a	n/a	n/a	n/a	n/a
Chiesi Farmaceutici S.p.A. Curated by ChEMBL					Assay Description Concentration required to inhibit cyclooxygenase-1 in rat blood				J Med Chem 48: 5705-20 (2005) Article DOI: 10.1021/jm0502541 BindingDB Entry DOI: 10.7270/Q2CC106W
Chiesi Farmaceutici S.p.A. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (550/553 > 99%)^† (Ovis aries (Sheep))	BDBM50074922 ((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid \|...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...				Eur J Med Chem 109: 216-37 (2016) Article DOI: 10.1016/j.ejmech.2015.12.036 BindingDB Entry DOI: 10.7270/Q21C1ZRJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (550/553 > 99%)^† (Ovis aries (Sheep))	BDBM50074922 ((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid \|...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna US Patent					Assay Description COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...				US Patent US9630914 (2017) BindingDB Entry DOI: 10.7270/Q2JW8H0S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (485/553 = 88%)^† (RAT)	BDBM50074922 ((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid \|...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Chiesi Farmaceutici S.p.A. Curated by ChEMBL					Assay Description Concentration required to inhibit cyclooxygenase-1 in rat blood				J Med Chem 48: 5705-20 (2005) Article DOI: 10.1021/jm0502541 BindingDB Entry DOI: 10.7270/Q2CC106W
Chiesi Farmaceutici S.p.A. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (550/553 > 99%)^† (Ovis aries (Sheep))	BDBM50074922 ((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid \|...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
King's College London Curated by ChEMBL					Assay Description Inhibition of ovine COX1				Bioorg Med Chem 18: 2204-18 (2010) Article DOI: 10.1016/j.bmc.2010.01.070 BindingDB Entry DOI: 10.7270/Q27945MJ
King's College London Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (518/553 = 94%)^† (Homo sapiens (Human))	BDBM50074922 ((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid \|...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw Medical University Curated by ChEMBL					Assay Description Inhibition of COX-1 (unknown origin)				Bioorg Med Chem 25: 316-326 (2017) Article DOI: 10.1016/j.bmc.2016.10.036 BindingDB Entry DOI: 10.7270/Q21V5GZS
Wroclaw Medical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (518/553 = 94%)^† (Homo sapiens (Human))	BDBM50172479 ((S)-FLURBIPROFEN \| CHEMBL435298) Show SMILES C[C@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood				Bioorg Med Chem Lett 16: 2219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.01.033 BindingDB Entry DOI: 10.7270/Q2M32VC8
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output