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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein phosphatase (VHR)' and Ligand = 'BDBM26104'   
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
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM26104
PNG
(5-{2-cyclohexyl-4-[4-fluoro-3-(trifluoromethyl)phe...)
Show SMILES OC(=O)c1cc(on1)-c1ccc(cc1C1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H19F4NO3/c24-19-9-7-15(11-18(19)23(25,26)27)14-6-8-16(21-12-20(22(29)30)28-31-21)17(10-14)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,29,30)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+4>-24.3n/an/an/an/an/a7.422



University of California Berkeley



Assay Description
The reaction was started by addition of pNPP substrate, and reaction progress was monitored at 405 nm. The initial rate data collected was used for d...


J Am Chem Soc 129: 9613-5 (2007)


Article DOI: 10.1021/ja0727520
BindingDB Entry DOI: 10.7270/Q2PG1Q2M
More data for this
Ligand-Target Pair