BindingDB PrimarySearch

BDBM16314 2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-N-methylmethanethioamido}acetic acid::Alredase::CHEMBL436::N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonothioyl}-N-methylglycine::Tolrestat

SMILES: COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O

InChI Key: InChIKey=LUBHDINQXIHVLS-UHFFFAOYSA-N

Data: 2 KI 42 IC50 1 ITC

PDB links: 7 PDB IDs match this monomer. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 16314
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
Aldo-keto reductase family member 1B10 (AKR1B10) (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of reductase activity of N-terminal 6His-tagged human AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as pyridine-3-aldehyde redu...				J Nat Prod 74: 1201-6 (2011) Article DOI: 10.1021/np200118q BindingDB Entry DOI: 10.7270/Q25D8SXZ
Gifu Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C21 (Mus musculus)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AKR1C21				Bioorg Med Chem 16: 3245-54 (2008) Article DOI: 10.1016/j.bmc.2007.12.016 BindingDB Entry DOI: 10.7270/Q2PZ59P2
Monash University Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10) (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge�ne�tique et de Biologie Mole�culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge�ne�tique et de Biologie Mole�culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (ALR2) (Bos taurus (Cattle))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase in partially purified bovine lens preparation at a concentration of 10e -8M.				J Med Chem 34: 1492-503 (1991) BindingDB Entry DOI: 10.7270/Q2WM1CCR
Wyeth-Ayerst Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (ALR2) (Bos taurus (Cattle))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description inhibition of aldose reductase activity of the compound was measured on partially purified bovine lens preparations incubated in presense of 50 mM gl...				J Med Chem 34: 2504-20 (1991) BindingDB Entry DOI: 10.7270/Q2H9945P
Wyeth-Ayerst Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (ALR2) (Bos taurus (Cattle))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase from the partially purified bovine lens				J Med Chem 33: 2892-9 (1990) BindingDB Entry DOI: 10.7270/Q27H1HK5
Wyeth-Ayerst Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (Rattus norvegicus)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Laboratories, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against L-Hexonate Dehydrogenase (L-HDH) from rat kidney (RK)				J Med Chem 34: 3229-34 (1991) BindingDB Entry DOI: 10.7270/Q2QJ7HXM
Alcon Laboratories, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (ALR2) (Bos taurus (Cattle))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine lens aldose reductase with DL-glyceraldehyde as substrate				J Med Chem 27: 255-6 (1984) BindingDB Entry DOI: 10.7270/Q2QR4W4S
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (Rattus norvegicus)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of aldose reductase (or polyol accumulation) in isolated rat sciatic nerve by compound at 10e-5 M concentration				J Med Chem 32: 757-65 (1989) BindingDB Entry DOI: 10.7270/Q22B8X0W
Wyeth-Ayerst Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (ALR2) (Bos taurus (Cattle))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of bovine lens aldose reductase				J Med Chem 32: 757-65 (1989) BindingDB Entry DOI: 10.7270/Q22B8X0W
Wyeth-Ayerst Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (Sus scrofa)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (Rattus norvegicus)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction.				J Med Chem 46: 1419-28 (2003) Article DOI: 10.1021/jm030762f BindingDB Entry DOI: 10.7270/Q21G0KN9
Università di Pisa Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family member 1B10 (AKR1B10) (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of reductase activity of N-terminal 6His-tagged AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as inhibition of NADPH linked pyr...				Bioorg Med Chem 18: 2485-90 (2010) Article DOI: 10.1016/j.bmc.2010.02.050 BindingDB Entry DOI: 10.7270/Q2K35TTH
Gifu Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (Rattus norvegicus)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Inhibitory concentration to aldose reductase (ALR-2) obtained from rat lens				J Med Chem 44: 4359-69 (2001) BindingDB Entry DOI: 10.7270/Q21N80FB
Università di Pisa Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (Rattus norvegicus)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction.				J Med Chem 46: 1419-28 (2003) Article DOI: 10.1021/jm030762f BindingDB Entry DOI: 10.7270/Q21G0KN9
Università di Pisa Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Biomar, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined				J Med Chem 46: 5208-21 (2003) Article DOI: 10.1021/jm030957n BindingDB Entry DOI: 10.7270/Q20Z72PQ
Instituto Biomar, S.A. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (Sus scrofa)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yonsei University Curated by ChEMBL					Assay Description Inhibition of pig kidney aldose reductase (ALR2)				J Med Chem 46: 5619-27 (2003) Article DOI: 10.1021/jm0205346 BindingDB Entry DOI: 10.7270/Q2C24VVS
Yonsei University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldehyde reductase (Sus scrofa)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of pig ALR1				Bioorg Med Chem 17: 1244-50 (2009) Article DOI: 10.1016/j.bmc.2008.12.024 BindingDB Entry DOI: 10.7270/Q20Z734Z
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair
Aldose reductase (Sus scrofa)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate				Bioorg Med Chem Lett 7: 1677-1682 (1997) Article DOI: 10.1016/S0960-894X(97)00287-4 BindingDB Entry DOI: 10.7270/Q2M61K7T
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (Rattus norvegicus)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Albino rat eye lens ALR2 assessed as NADPH oxidation by spectrophotometry				Eur J Med Chem 45: 909-14 (2010) Article DOI: 10.1016/j.ejmech.2009.11.031 BindingDB Entry DOI: 10.7270/Q2474B0X
Institute of Pharmaceutical Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human aldose reductase expressed in Escherichia coli BL21(DE3) mediated NADPH linked pyridine-3-aldehyde reducti...				Bioorg Med Chem 18: 2485-90 (2010) Article DOI: 10.1016/j.bmc.2010.02.050 BindingDB Entry DOI: 10.7270/Q2K35TTH
Gifu Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldehyde reductase (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human aldehyde reductase expressed in Escherichia coli BL21(DE3) mediated D-glucuronate reduction				Bioorg Med Chem 18: 2485-90 (2010) Article DOI: 10.1016/j.bmc.2010.02.050 BindingDB Entry DOI: 10.7270/Q2K35TTH
Gifu Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde reductase (Sus scrofa)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values				J Med Chem 34: 1011-8 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2NK3FMZ
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Aldose reductase (Rattus norvegicus)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity measured against rat lens aldose reductase using 3-pyridinecarboxaldehyde as substrate				J Med Chem 34: 1011-8 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2NK3FMZ
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (ALR2) (Bos taurus (Cattle))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
Wyeth-Ayerst Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Compound was evaluated In vitro for inhibition of aldose reductase activity by 50% in dog RBC				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
Wyeth-Ayerst Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldehyde reductase (Rattus norvegicus)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of Aldehyde reductase 1				J Med Chem 39: 4396-405 (1996) Article DOI: 10.1021/jm960124f BindingDB Entry DOI: 10.7270/Q2N58N21
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Aldose reductase (ALR2) (Bos taurus (Cattle))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of Aldose reductase 2				J Med Chem 39: 4396-405 (1996) Article DOI: 10.1021/jm960124f BindingDB Entry DOI: 10.7270/Q2N58N21
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
National Eye Institute Curated by ChEMBL					Assay Description Inhibitory Activity against Human recombinant Aldose Reductase (wild type)				J Med Chem 43: 1062-70 (2000) BindingDB Entry DOI: 10.7270/Q2QZ2BPN
National Eye Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibitory activity against aldose reductase enzyme				J Med Chem 46: 417-26 (2003) Article DOI: 10.1021/jm0209477 BindingDB Entry DOI: 10.7270/Q2PG1SGT
Aristotle University of Thessaloniki Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (Sus scrofa)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of aldose reductase from pig lenses				J Med Chem 47: 5076-84 (2004) Article DOI: 10.1021/jm049756p BindingDB Entry DOI: 10.7270/Q2NC620D
University of California-San Francisco Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (Rattus norvegicus)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of rat AKR1B4				Proc Natl Acad Sci USA 104: 20764-9 (2007) Article DOI: 10.1073/pnas.0705659105 BindingDB Entry DOI: 10.7270/Q2H132VS
Universitat Aut£noma de Barcelona Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family member 1B10 (AKR1B10) (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of retinaldehyde reductase activity of human AKR1B10				Proc Natl Acad Sci USA 104: 20764-9 (2007) Article DOI: 10.1073/pnas.0705659105 BindingDB Entry DOI: 10.7270/Q2H132VS
Universitat Aut£noma de Barcelona Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C21 (Mus musculus)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AKR1C21				Bioorg Med Chem 16: 3245-54 (2008) Article DOI: 10.1016/j.bmc.2007.12.016 BindingDB Entry DOI: 10.7270/Q2PZ59P2
Monash University Curated by ChEMBL					More data for this Ligand-Target Pair
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase				Bioorg Med Chem 16: 3245-54 (2008) Article DOI: 10.1016/j.bmc.2007.12.016 BindingDB Entry DOI: 10.7270/Q2PZ59P2
Monash University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (Rattus norvegicus)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Laboratories, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against L-Hexonate Dehydrogenase (L-HDH) from rat kidney (RK)				J Med Chem 34: 3229-34 (1991) BindingDB Entry DOI: 10.7270/Q2QJ7HXM
Alcon Laboratories, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile salt export pump (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.85E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Tested in vitro for dopamine(DA) neuronal uptake inhibition				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Aldose reductase (Rattus norvegicus)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Farmacia, Universit� di Pisa, Via Bonanno 6, 56126 Pisa, Italy. Electronic address: susanna.nencetti@farm.unipi.it. Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat kidney ALR1 using sodium D-glucuronate as substrate by spectrophotometric method				Bioorg Med Chem 25: 3068-3076 (2017) Article DOI: 10.1016/j.bmc.2017.03.056 BindingDB Entry DOI: 10.7270/Q29K4DN8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family member 1B10 (AKR1B10) (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged AKR1B10 expressed in Escherichia coli BL21 using retinaldehyde as substrate				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
Gifu Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human AKR1B1 assessed as decrease in glyceraldehyde reduction				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
Gifu Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (Rattus norvegicus)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Farmacia, Universit� di Pisa, Via Bonanno 6, 56126 Pisa, Italy. Electronic address: susanna.nencetti@farm.unipi.it. Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat kidney ALR1 using sodium D-glucuronate as substrate by spectrophotometric method				Bioorg Med Chem 25: 3068-3076 (2017) Article DOI: 10.1016/j.bmc.2017.03.056 BindingDB Entry DOI: 10.7270/Q29K4DN8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
The Institute for Diabetes Discovery					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldehyde reductase (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Institute for Diabetes Discovery					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappear...				J Med Chem 48: 3141-52 (2005) Article DOI: 10.1021/jm0492094 BindingDB Entry DOI: 10.7270/Q2J38QSN
The Institute for Diabetes Discovery					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 16314
Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)	GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-9.08	n/a	n/a	6.66	n/a	24.9
Philipps-University Marburg		GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		J Mol Biol 356: 45-56 (2006)