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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50206289'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50206289
PNG
(CHEMBL3927708)
Show SMILES Nc1c(cnn1-c1ccc(CN(Cc2ccc(Cl)cc2)Cc2ccc(F)c(F)c2)cc1)C(O)=O
Show InChI InChI=1S/C25H21ClF2N4O2/c26-19-6-1-16(2-7-19)13-31(15-18-5-10-22(27)23(28)11-18)14-17-3-8-20(9-4-17)32-24(29)21(12-30-32)25(33)34/h1-12H,13-15,29H2,(H,33,34)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
1.10E+4n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B expressed in Escherichia coli expression system using pNPP as substrate preincubated for 30 mins followed by su...


Bioorg Med Chem 25: 67-74 (2017)


Article DOI: 10.1016/j.bmc.2016.10.012
BindingDB Entry DOI: 10.7270/Q23F4RN5
More data for this
Ligand-Target Pair