BDBM16419 2-phenylacetic acid::Benzeneacetic acid::CHEMBL1044::Phenylacetate, XIX::Phenylacetic acid::phenylacetate
SMILES: OC(=O)Cc1ccccc1
InChI Key: InChIKey=WLJVXDMOQOGPHL-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Aldose reductase (AR) (Homo sapiens (Human)) | BDBM16419 (2-phenylacetic acid | Benzeneacetic acid | CHEMBL1...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 9.60E+4 | -5.48 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Medical College of Wiscosin | Assay Description The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a... | Bioorg Chem 34: 424-44 (2006) Article DOI: 10.1016/j.bioorg.2006.09.004 BindingDB Entry DOI: 10.7270/Q2SN076W | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Olfactory receptor class A 1 (ORA1) (Danio rerio (Zebrafish)) | BDBM16419 (2-phenylacetic acid | Benzeneacetic acid | CHEMBL1...) | UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.05E+4 | n/a | n/a | 7.4 | n/a |
German Institute of Human Nutrition Potsdam-Rehbruecke | Assay Description Briefly, HEK 293T cells stably expressing the G protein-chimera Gα16gust44 were seeded onto 96-well plates coated with 10 μg/ml of poly-D-l... | J Biol Chem 289: 19778-88 (2014) Article DOI: 10.1074/jbc.M114.573162 BindingDB Entry DOI: 10.7270/Q2057DTQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldose reductase (AR) (Homo sapiens (Human)) | BDBM16419 (2-phenylacetic acid | Benzeneacetic acid | CHEMBL1...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 9.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia Curated by ChEMBL | Assay Description Inhibition of aldose reductase | Bioorg Med Chem 15: 7865-77 (2007) Article DOI: 10.1016/j.bmc.2007.08.019 BindingDB Entry DOI: 10.7270/Q2QR4WV6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Tyrosine-protein kinase Lck (Homo sapiens (Human)) | BDBM16419 (2-phenylacetic acid | Benzeneacetic acid | CHEMBL1...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | >5.00E+7 | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Binding affinity against Lck SH2 domain | Bioorg Med Chem Lett 9: 2403-6 (1999) Article DOI: 10.1016/s0960-894x(99)00403-5 BindingDB Entry DOI: 10.7270/Q2Z89BK7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldose Reductase (ALR2) Mutant (C298A) (Homo sapiens (Human)) | BDBM16419 (2-phenylacetic acid | Benzeneacetic acid | CHEMBL1...) | PDB MMDB GoogleScholar | Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 3.03E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wiscosin | Assay Description The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a... | Bioorg Chem 34: 424-44 (2006) Article DOI: 10.1016/j.bioorg.2006.09.004 BindingDB Entry DOI: 10.7270/Q2SN076W | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldose Reductase (ALR2) Mutant (C298A/W219Y) (Homo sapiens (Human)) | BDBM16419 (2-phenylacetic acid | Benzeneacetic acid | CHEMBL1...) | PDB MMDB GoogleScholar | Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 3.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wiscosin | Assay Description The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a... | Bioorg Chem 34: 424-44 (2006) Article DOI: 10.1016/j.bioorg.2006.09.004 BindingDB Entry DOI: 10.7270/Q2SN076W | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Procollagen-proline,2-oxoglutarate-4-dioxygenase (Gallus gallus (Chicken)) | BDBM16419 (2-phenylacetic acid | Benzeneacetic acid | CHEMBL1...) | PDB UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | >2.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oulu | Assay Description Inhibition assay using procollagen-prolin, 2-oxoglutarate 4-dioxygenase. | J Biol Chem 261: 7819-23 (1986) BindingDB Entry DOI: 10.7270/Q2SJ1J6Z | |||||||||||
More data for this Ligand-Target Pair |