BDBM16426 2-(2-hydroxyphenyl)acetic acid::2-Hydroxyphenylacetic acid::Benzeneacetic acid::CHEMBL240714

SMILES: OC(=O)Cc1ccccc1O

InChI Key: InChIKey=CCVYRRGZDBSHFU-UHFFFAOYSA-N

Data: 3 KI  1 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 4 hits for monomerid = 16426   

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))	BDBM16426 (2-(2-hydroxyphenyl)acetic acid | 2-Hydroxyphenylac...) Show SMILES OC(=O)Cc1ccccc1O Show InChI InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	3.50E+3	-7.44	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)
Aldose Reductase (ALR2) Mutant (C298A) (Homo sapiens (human))	BDBM16426 (2-(2-hydroxyphenyl)acetic acid | 2-Hydroxyphenylac...) Show SMILES OC(=O)Cc1ccccc1O Show InChI InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	1.81E+4	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))	BDBM16426 (2-(2-hydroxyphenyl)acetic acid | 2-Hydroxyphenylac...) Show SMILES OC(=O)Cc1ccccc1O Show InChI InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	3.20E+4	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 (AR) (Homo sapiens (Human))	BDBM16426 (2-(2-hydroxyphenyl)acetic acid | 2-Hydroxyphenylac...) Show SMILES OC(=O)Cc1ccccc1O Show InChI InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	3.50E+3	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)