BDBM16469 2-{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid::CHEMBL363387::IDD-676::Indoleacetic Acid Inhibitor 9::Lidorestat::{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid

SMILES: OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12

InChI Key: InChIKey=KYHVTMFADJNSGS-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 16469   

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))	BDBM16469 (2-{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methy...) Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12 Show InChI InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	6.6	37
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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldehyde reductase (Homo sapiens (Human))	BDBM16469 (2-{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methy...) Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12 Show InChI InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+4	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
					More data for this Ligand-Target Pair
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16469 (2-{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methy...) Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12 Show InChI InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute for Diabetes Discovery, LLC Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase 1 after 10 mins by spectrophotometry analysis				Bioorg Med Chem Lett 19: 2006-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.037 BindingDB Entry DOI: 10.7270/Q2W66M3T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16469 (2-{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methy...) Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12 Show InChI InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5	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)
Aldose reductase (Rattus norvegicus)	BDBM16469 (2-{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methy...) Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12 Show InChI InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate incubated for 1 min measured for 4 mins by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair				3D Structure (crystal)