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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50103185   
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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50103185
PNG
(CHEMBL3393194)
Show SMILES COc1cc2nncc(-c3cnc(N4CCC(O)(CC4)c4cccnc4)c(C)c3)c2cc1OC
Show InChI InChI=1S/C26H27N5O3/c1-17-11-18(21-16-29-30-22-13-24(34-3)23(33-2)12-20(21)22)14-28-25(17)31-9-6-26(32,7-10-31)19-5-4-8-27-15-19/h4-5,8,11-16,32H,6-7,9-10H2,1-3H3
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PubMed
n/an/a 1.5n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A catalytic domain pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substra...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A


(Homo sapiens (Human))
BDBM50103185
PNG
(CHEMBL3393194)
Show SMILES COc1cc2nncc(-c3cnc(N4CCC(O)(CC4)c4cccnc4)c(C)c3)c2cc1OC
Show InChI InChI=1S/C26H27N5O3/c1-17-11-18(21-16-29-30-22-13-24(34-3)23(33-2)12-20(21)22)14-28-25(17)31-9-6-26(32,7-10-31)19-5-4-8-27-15-19/h4-5,8,11-16,32H,6-7,9-10H2,1-3H3
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PubMed
n/an/a 3.07E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3A pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substrate addition by sci...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B


(Homo sapiens (Human))
BDBM50103185
PNG
(CHEMBL3393194)
Show SMILES COc1cc2nncc(-c3cnc(N4CCC(O)(CC4)c4cccnc4)c(C)c3)c2cc1OC
Show InChI InChI=1S/C26H27N5O3/c1-17-11-18(21-16-29-30-22-13-24(34-3)23(33-2)12-20(21)22)14-28-25(17)31-9-6-26(32,7-10-31)19-5-4-8-27-15-19/h4-5,8,11-16,32H,6-7,9-10H2,1-3H3
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PubMed
n/an/a 4.11E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3B pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substrate addition by sci...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50103185
PNG
(CHEMBL3393194)
Show SMILES COc1cc2nncc(-c3cnc(N4CCC(O)(CC4)c4cccnc4)c(C)c3)c2cc1OC
Show InChI InChI=1S/C26H27N5O3/c1-17-11-18(21-16-29-30-22-13-24(34-3)23(33-2)12-20(21)22)14-28-25(17)31-9-6-26(32,7-10-31)19-5-4-8-27-15-19/h4-5,8,11-16,32H,6-7,9-10H2,1-3H3
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Article
PubMed
n/an/a 7.83E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4A pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substrate addition by sci...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50103185
PNG
(CHEMBL3393194)
Show SMILES COc1cc2nncc(-c3cnc(N4CCC(O)(CC4)c4cccnc4)c(C)c3)c2cc1OC
Show InChI InChI=1S/C26H27N5O3/c1-17-11-18(21-16-29-30-22-13-24(34-3)23(33-2)12-20(21)22)14-28-25(17)31-9-6-26(32,7-10-31)19-5-4-8-27-15-19/h4-5,8,11-16,32H,6-7,9-10H2,1-3H3
PDB

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PC sid
UniChem

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Article
PubMed
n/an/a 8.73E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substrate addition by sci...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair