BDBM16463 2-{3-[(4-fluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid::Indoleacetic Acid Inhibitor 22
SMILES: OC(=O)Cn1cc(Cc2nc3c(F)cccc3s2)c2ccccc12
InChI Key: InChIKey=VMWZIBFOMSVTEY-UHFFFAOYSA-N
Data: 2 IC50
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aldehyde reductase (Homo sapiens (Human)) | BDBM16463 (2-{3-[(4-fluoro-1,3-benzothiazol-2-yl)methyl]-1H-i...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.10E+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)) | BDBM16463 (2-{3-[(4-fluoro-1,3-benzothiazol-2-yl)methyl]-1H-i...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 34 | 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 |