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BDBM50343933 2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid::CHEMBL1235556

SMILES: OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cccnc12

InChI Key: InChIKey=IEVFQDJUDLCOQY-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50343933   
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
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50343933
PNG
(2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cccnc12
Show InChI InChI=1S/C17H10F3N3O2S/c18-10-5-11(19)16-15(14(10)20)22-12(26-16)4-8-6-23(7-13(24)25)17-9(8)2-1-3-21-17/h1-3,5-6H,4,7H2,(H,24,25)
PDB

UniProtKB/SwissProt

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CHEMBL
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MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)