Affinity Data by PDB ID

PDB code 3PGH

Identical Ligands in BindingDB

Found 10 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 2 (511/587 = 87%)^† (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	770	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 2 (511/587 = 87%)^† (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	4.23E+3	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 2 (511/587 = 87%)^† (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	5.50E+3	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 2 (511/587 = 87%)^† (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	10	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 2 (COX-2) in human				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 2 (511/587 = 87%)^† (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank 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 COX2				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 2 (585/587 > 99%)^† (Mus musculus (Mouse))	BDBM50074922 ((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid \|...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt 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 mouse COX2				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 2 (511/587 = 87%)^† (Homo sapiens (Human))	BDBM50172479 ((S)-FLURBIPROFEN \| CHEMBL435298) Show SMILES C[C@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1 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	910	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-2 in human 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 2 (511/587 = 87%)^† (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB US Patent	n/a	n/a	1.04E+3	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 2 (511/587 = 87%)^† (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...				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 2 (511/587 = 87%)^† (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank 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-2 (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)

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