BDBM50074933 2-biphenyl-4-yl-propionic acid::CHEMBL317434::alpha-Methyl-4-biphenyl-acetic acid

SMILES: CC(C(O)=O)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=JALUUBQFLPUJMY-UHFFFAOYSA-N

Data: 1 KI  4 IC50

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 50074933   

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
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50074933 (2-biphenyl-4-yl-propionic acid | CHEMBL317434 | al...) Show SMILES CC(C(O)=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	130	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase (Homo sapiens (Human))	BDBM50074933 (2-biphenyl-4-yl-propionic acid | CHEMBL317434 | al...) Show SMILES CC(C(O)=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	21	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
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50074933 (2-biphenyl-4-yl-propionic acid | CHEMBL317434 | al...) Show SMILES CC(C(O)=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	110	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50074933 (2-biphenyl-4-yl-propionic acid | CHEMBL317434 | al...) Show SMILES CC(C(O)=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	32	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50074933 (2-biphenyl-4-yl-propionic acid | CHEMBL317434 | al...) Show SMILES CC(C(O)=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	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 1 in sheep				Bioorg Med Chem Lett 9: 307-12 (1999) BindingDB Entry DOI: 10.7270/Q2H994CC
					More data for this Ligand-Target Pair				3D Structure (crystal)