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PubMed code 19303290

Compile data set for download or QSAR
Found 4 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
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50277665
PNG
(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
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Article
PubMed
n/an/a 730n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus-infected insect Sf9 cells by modified two-step method


Bioorg Med Chem Lett 19: 2129-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.007
BindingDB Entry DOI: 10.7270/Q2D79B9B
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50277784
PNG
(CHEMBL484928 | N,N,2-trimethyl-5-nitrobenzenesulfo...)
Show SMILES CN(C)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C9H12N2O4S/c1-7-4-5-8(11(12)13)6-9(7)16(14,15)10(2)3/h4-6H,1-3H3
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PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus-infected insect Sf9 cells by modified two-step method


Bioorg Med Chem Lett 19: 2129-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.007
BindingDB Entry DOI: 10.7270/Q2D79B9B
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50277665
PNG
(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
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PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1A3 expressed in baculovirus-infected insect Sf9 cells by modified two-step method


Bioorg Med Chem Lett 19: 2129-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.007
BindingDB Entry DOI: 10.7270/Q2D79B9B
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50059035
PNG
(3-Isobutyl-8-methoxymethyl-1-methyl-3,7-dihydro-pu...)
Show SMILES COCc1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C12H18N4O3/c1-7(2)5-16-10-9(11(17)15(3)12(16)18)13-8(14-10)6-19-4/h7H,5-6H2,1-4H3,(H,13,14)
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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1A3 expressed in baculovirus-infected insect Sf9 cells by modified two-step method


Bioorg Med Chem Lett 19: 2129-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.007
BindingDB Entry DOI: 10.7270/Q2D79B9B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%