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BDBM50219562 5-(3-benzoylaminophenyl)-4-bromo-3-carboxymethoxythiophene-2-carboxylic acid::CHEMBL397254

SMILES: OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC(=O)c2ccccc2)c1

InChI Key: InChIKey=VXLRVGCHBXLATN-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50219562   
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))
BDBM50219562
PNG
(5-(3-benzoylaminophenyl)-4-bromo-3-carboxymethoxyt...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C20H14BrNO6S/c21-15-16(28-10-14(23)24)18(20(26)27)29-17(15)12-7-4-8-13(9-12)22-19(25)11-5-2-1-3-6-11/h1-9H,10H2,(H,22,25)(H,23,24)(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10E+3n/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)