BindingDB logo
myBDB logout

BDBM50115761 4-[2-(3,4-Dioxo-1-phenyl-3,4-dihydro-naphthalen-2-yl)-ethyl]-benzoic acid ethyl ester::CHEMBL292444

SMILES: CCOC(=O)c1ccc(CCC2=C(c3ccccc3)c3ccccc3C(=O)C2=O)cc1

InChI Key: InChIKey=WIBWWEHJZJJOJK-UHFFFAOYSA-N

Data: 1 IC50

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 = 50115761   
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))
BDBM50115761
PNG
(4-[2-(3,4-Dioxo-1-phenyl-3,4-dihydro-naphthalen-2-...)
Show SMILES CCOC(=O)c1ccc(CCC2=C(c3ccccc3)c3ccccc3C(=O)C2=O)cc1
Show InChI InChI=1S/C27H22O4/c1-2-31-27(30)20-15-12-18(13-16-20)14-17-23-24(19-8-4-3-5-9-19)21-10-6-7-11-22(21)25(28)26(23)29/h3-13,15-16H,2,14,17H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.01E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP)


Bioorg Med Chem Lett 12: 1941-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00331-1
BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair