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

PDB links: 1 PDB ID contains this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to 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 3 hits for monomerid = 16427   

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
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16427 ((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 UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	3.42E+4	-6.09	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
Aldose Reductase (ALR2) Mutant (C298A/W219Y) (Homo sapiens (Human))	BDBM16427 ((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+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 (docked)
Olfactory receptor class A 1 (ORA1) (Danio rerio (Zebrafish))	BDBM16427 ((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/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.66E+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