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BDBM16466 2-{3-[(7-fluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid::Indoleacetic Acid Inhibitor 25

SMILES: OC(=O)Cn1cc(Cc2nc3cccc(F)c3s2)c2ccccc12

InChI Key: InChIKey=NMHZWOGDGMEOEJ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 16466   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Aldehyde reductase


(Homo sapiens (human))
BDBM16466
PNG
(2-{3-[(7-fluoro-1,3-benzothiazol-2-yl)methyl]-1H-i...)
Show SMILES OC(=O)Cn1cc(Cc2nc3cccc(F)c3s2)c2ccccc12
Show InChI InChI=1S/C18H13FN2O2S/c19-13-5-3-6-14-18(13)24-16(20-14)8-11-9-21(10-17(22)23)15-7-2-1-4-12(11)15/h1-7,9H,8,10H2,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/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))
BDBM16466
PNG
(2-{3-[(7-fluoro-1,3-benzothiazol-2-yl)methyl]-1H-i...)
Show SMILES OC(=O)Cn1cc(Cc2nc3cccc(F)c3s2)c2ccccc12
Show InChI InChI=1S/C18H13FN2O2S/c19-13-5-3-6-14-18(13)24-16(20-14)8-11-9-21(10-17(22)23)15-7-2-1-4-12(11)15/h1-7,9H,8,10H2,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/a6.637



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