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BDBM50402295 CHEMBL2206068

SMILES: CNc1nc(N)nc2nc(ccc12)-c1c(Cl)cccc1N1CCCC1

InChI Key: InChIKey=CGJRWADOGDHXSA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50402295   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50402295
PNG
(CHEMBL2206068)
Show SMILES CNc1nc(N)nc2nc(ccc12)-c1c(Cl)cccc1N1CCCC1
Show InChI InChI=1S/C18H19ClN6/c1-21-16-11-7-8-13(22-17(11)24-18(20)23-16)15-12(19)5-4-6-14(15)25-9-2-3-10-25/h4-8H,2-3,9-10H2,1H3,(H3,20,21,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 820n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B (1 to 321 amino acid residues) expressed in Escherichia coli using TRDI(pY)E as substrate incubated for 15 mins prior to su...


Bioorg Med Chem Lett 22: 7518-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.035
BindingDB Entry DOI: 10.7270/Q2VQ33V6
More data for this
Ligand-Target Pair