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BDBM14211 3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid::pyridothiophene inhibitor 1

SMILES: OC(=O)COc1c(sc2ncccc12)C(O)=O

InChI Key: InChIKey=JGZSWLHKOMFYHS-UHFFFAOYSA-N

Data: 1 KI

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 = 14211   
Target
(Institution)
LigandTarget
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
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14211
PNG
(3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxyl...)
Show SMILES OC(=O)COc1c(sc2ncccc12)C(O)=O
Show InChI InChI=1S/C10H7NO5S/c12-6(13)4-16-7-5-2-1-3-11-9(5)17-8(7)10(14)15/h1-3H,4H2,(H,12,13)(H,14,15)
PDB
MMDB

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PC cid
PC sid
PDB
UniChem

Patents

AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
2.30E+5 -4.91n/an/an/an/an/a7.422



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


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