BindingDB logo
myBDB logout

BDBM14250 4-bromo-3-(carboxymethoxy)-5-(4-hydroxyphenyl)thiophene-2-carboxylic acid::Monocyclic thiophene analog 17

SMILES: OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(O)cc1

InChI Key: InChIKey=QZWUMLLRAVGBHC-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 = 14250   
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))
BDBM14250
PNG
(4-bromo-3-(carboxymethoxy)-5-(4-hydroxyphenyl)thio...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(O)cc1
Show InChI InChI=1S/C13H9BrO6S/c14-9-10(20-5-8(16)17)12(13(18)19)21-11(9)6-1-3-7(15)4-2-6/h1-4,15H,5H2,(H,16,17)(H,18,19)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
300 -8.80n/an/an/an/an/a7.022



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)