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SMILES: OC(=O)C(=O)Nc1sc2CN(CCC(c3ccccc3)c3ccccc3)CCc2c1C(O)=O

InChI Key: InChIKey=CLBREHDDXLKGOB-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50118752   
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
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))
BDBM50118752
PNG
(6-(3,3-Diphenyl-propyl)-2-(oxalyl-amino)-4,5,6,7-t...)
Show SMILES OC(=O)C(=O)Nc1sc2CN(CCC(c3ccccc3)c3ccccc3)CCc2c1C(O)=O
Show InChI InChI=1S/C25H24N2O5S/c28-22(25(31)32)26-23-21(24(29)30)19-12-14-27(15-20(19)33-23)13-11-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,26,28)(H,29,30)(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
5.80E+3n/an/an/an/an/an/a7.0n/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory effect against T cell protein tyrosine phosphatase (TC-PTP) using p-nitrophenyl phosphate as substrate at pH 7.0


J Med Chem 45: 4443-59 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GM5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50118752
PNG
(6-(3,3-Diphenyl-propyl)-2-(oxalyl-amino)-4,5,6,7-t...)
Show SMILES OC(=O)C(=O)Nc1sc2CN(CCC(c3ccccc3)c3ccccc3)CCc2c1C(O)=O
Show InChI InChI=1S/C25H24N2O5S/c28-22(25(31)32)26-23-21(24(29)30)19-12-14-27(15-20(19)33-23)13-11-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,26,28)(H,29,30)(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
5.90E+3n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Protein-tyrosine phosphatase 1B.


J Med Chem 45: 4443-59 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GM5
More data for this
Ligand-Target Pair