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

InChI Key: InChIKey=CGJRWADOGDHXSA-UHFFFAOYSA-N

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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/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 1


(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)
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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