BindingDB PrimarySearch

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SMILES: C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1

InChI Key: InChIKey=SYTBZMRGLBWNTM-SNVBAGLBSA-N

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50172473
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 1 (Homo sapiens (Human))	BDBM50172473 ((-)-(2R)-2-(2-fluorobiphenyl-4-yl)propanoic acid \|...) Show SMILES C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+4	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
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50172473 ((-)-(2R)-2-(2-fluorobiphenyl-4-yl)propanoic acid \|...) Show SMILES C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.07E+5	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of CHAPSO-solubilized gamma-secretase isolated from human SH-SY5Y P2 cell membranes assessed as reduction in Abeta(1 to 42) peptide genera...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
Goethe-University Frankfurt Curated by ChEMBL					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50172473 ((-)-(2R)-2-(2-fluorobiphenyl-4-yl)propanoic acid \|...) Show SMILES C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chiesi Farmaceutici S.p.A. Curated by ChEMBL					Assay Description Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)				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
Presenilin-1 (Homo sapiens (Human))	BDBM50172473 ((-)-(2R)-2-(2-fluorobiphenyl-4-yl)propanoic acid \|...) Show SMILES C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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
Centre Hospitalier Universitaire Vaudois (CHUV) Curated by ChEMBL					Assay Description Modulation of gamma secretase (unknown origin) assessed as reduction in amyloid beta levels				J Med Chem 59: 7719-37 (2016) Article DOI: 10.1021/acs.jmedchem.5b01516
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50172473 ((-)-(2R)-2-(2-fluorobiphenyl-4-yl)propanoic acid \|...) 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 DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.23E+5	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 (Mus musculus (Mouse))	BDBM50172473 ((-)-(2R)-2-(2-fluorobiphenyl-4-yl)propanoic acid \|...) Show SMILES C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of COX2-mediated 2-arachidonoylglycerol oxygenation in LPS/IFN-gamma-stimulated mouse RAW264.7 cells assessed as 2-AG to PGE2-G/PGD2-G con...				ACS Med Chem Lett 3: 759-763 (2012) Article DOI: 10.1021/ml3001616 BindingDB Entry DOI: 10.7270/Q2FJ2HWS
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (RAT)	BDBM50172473 ((-)-(2R)-2-(2-fluorobiphenyl-4-yl)propanoic acid \|...) 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 DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	4.40E+4	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