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BDBM50219581 5-(3-(1-(benzylsulfonyl)piperidin-4-yloxy)phenyl)-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid::5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]oxy}phenyl)-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid::CHEMBL244564

SMILES: OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(OC2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1

InChI Key: InChIKey=IGNGKEZFUOKBDB-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50219581   
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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50219581
PNG
(5-(3-(1-(benzylsulfonyl)piperidin-4-yloxy)phenyl)-...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(OC2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C25H24BrNO8S2/c26-21-22(34-14-20(28)29)24(25(30)31)36-23(21)17-7-4-8-19(13-17)35-18-9-11-27(12-10-18)37(32,33)15-16-5-2-1-3-6-16/h1-8,13,18H,9-12,14-15H2,(H,28,29)(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
24n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Med Chem 50: 4681-98 (2007)


Article DOI: 10.1021/jm0702478
BindingDB Entry DOI: 10.7270/Q2TX3F37
More data for this
Ligand-Target Pair