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BDBM50113299 5-[3-Nitro-4-(6-nitro-benzothiazol-2-ylsulfanyl)-benzylidene]-pyrimidine-2,4,6-trione::CHEMBL302323

SMILES: [#8-]-[#7+](=O)-c1ccc2nc(-[#16]-c3ccc(\[#6]=[#6]-4/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-4=O)cc3-[#7+](-[#8-])=O)sc2c1

InChI Key: InChIKey=OGJGGIGBMNNTFU-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113299   
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))
BDBM50113299
PNG
(5-[3-Nitro-4-(6-nitro-benzothiazol-2-ylsulfanyl)-b...)
Show SMILES [#8-]-[#7+](=O)-c1ccc2nc(-[#16]-c3ccc(\[#6]=[#6]-4/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-4=O)cc3-[#7+](-[#8-])=O)sc2c1
Show InChI InChI=1S/C18H9N5O7S2/c24-15-10(16(25)21-17(26)20-15)5-8-1-4-13(12(6-8)23(29)30)31-18-19-11-3-2-9(22(27)28)7-14(11)32-18/h1-7H,(H2,20,21,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) dephosphorylation of insulin receptor peptide


J Med Chem 45: 2213-21 (2002)


BindingDB Entry DOI: 10.7270/Q2SB46F1
More data for this
Ligand-Target Pair