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PubMed code 16509582

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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
Protein phosphatase 1A


(Homo sapiens (Human))
BDBM50183456
PNG
(CHEMBL425403 | N-methyl-N'-9-phenanthrylimidodicar...)
Show SMILES CN=C(N)NC(N)=Nc1cc2ccccc2c2ccccc12 |w:7.7,1.0|
Show InChI InChI=1S/C17H17N5/c1-20-16(18)22-17(19)21-15-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15/h2-10H,1H3,(H5,18,19,20,21,22)
PDB
MMDB

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PC cid
PC sid
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Patents

Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



The Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of PP2C alpha


J Med Chem 49: 1658-67 (2006)


Article DOI: 10.1021/jm051033y
BindingDB Entry DOI: 10.7270/Q20001QF
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2B catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM96001
PNG
(6,6-dimethyl-1-[4-(4-phenylbutyl)phenyl]-1,3,5-tri...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccccc2)cc1 |t:3,6|
Show InChI InChI=1S/C21H27N5/c1-21(2)25-19(22)24-20(23)26(21)18-14-12-17(13-15-18)11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,12-15H,6-7,10-11H2,1-2H3,(H4,22,23,24,25)
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Similars

Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



The Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of PP2B


J Med Chem 49: 1658-67 (2006)


Article DOI: 10.1021/jm051033y
BindingDB Entry DOI: 10.7270/Q20001QF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%