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BDBM16427 (p-Chlorophenyl)acetic acid::2-(4-chlorophenyl)acetic acid::4-Chlorobenzeneacetic acid::4-Chlorophenylacetic acid

SMILES: OC(=O)Cc1ccc(Cl)cc1

InChI Key: InChIKey=CDPKJZJVTHSESZ-UHFFFAOYSA-N

Data: 2 KI  1 EC50

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 3 hits for monomerid = 16427   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16427
PNG
((p-Chlorophenyl)acetic acid | 2-(4-chlorophenyl)ac...)
Show SMILES OC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
PDB

UniProtKB/SwissProt

GoogleScholar
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KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.42E+4 -6.09n/an/an/an/an/a7.025



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
Aldose Reductase (ALR2) Mutant (C298A/W219Y)


(Homo sapiens (human))
BDBM16427
PNG
((p-Chlorophenyl)acetic acid | 2-(4-chlorophenyl)ac...)
Show SMILES OC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.70E+5n/an/an/an/an/an/an/an/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
3D Structure (docked)
Olfactory receptor class A 1 (ORA1)


(Danio rerio (Zebrafish))
BDBM16427
PNG
((p-Chlorophenyl)acetic acid | 2-(4-chlorophenyl)ac...)
Show SMILES OC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 1.66E+4n/an/a7.4n/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