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BDBM50219598 4-bromo-3-(carboxymethoxy)-5-(3-(1-(methoxycarbonyl)piperidin-4-ylamino)phenyl)thiophene-2-carboxylic acid::CHEMBL244147

SMILES: COC(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br

InChI Key: InChIKey=SWVGQQXMWXNWBU-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50219598   
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))
BDBM50219598
PNG
(4-bromo-3-(carboxymethoxy)-5-(3-(1-(methoxycarbony...)
Show SMILES COC(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C20H21BrN2O7S/c1-29-20(28)23-7-5-12(6-8-23)22-13-4-2-3-11(9-13)17-15(21)16(30-10-14(24)25)18(31-17)19(26)27/h2-4,9,12,22H,5-8,10H2,1H3,(H,24,25)(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
390n/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
3D
3D Structure (docked)