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Compile Data Set for Download or QSAR

Found 9 hits of ki for monomerid = 50150264   
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-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50150264
PNG
(CHEMBL3769817)
Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(cc3)-c3ccccn3)nc12 |r,c:9|
Show InChI InChI=1S/C29H27N7O/c1-34-28(37)25-26(31-21-8-3-2-4-9-21)35(33-27(25)36-24-12-7-11-23(24)32-29(34)36)18-19-13-15-20(16-14-19)22-10-5-6-17-30-22/h2-6,8-10,13-17,23-24,31H,7,11-12,18H2,1H3/t23-,24+/m1/s1
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240n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full lenght human PDE4A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay


J Med Chem 59: 1149-64 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01751
BindingDB Entry DOI: 10.7270/Q2X068W7
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM50150264
PNG
(CHEMBL3769817)
Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(cc3)-c3ccccn3)nc12 |r,c:9|
Show InChI InChI=1S/C29H27N7O/c1-34-28(37)25-26(31-21-8-3-2-4-9-21)35(33-27(25)36-24-12-7-11-23(24)32-29(34)36)18-19-13-15-20(16-14-19)22-10-5-6-17-30-22/h2-6,8-10,13-17,23-24,31H,7,11-12,18H2,1H3/t23-,24+/m1/s1
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300n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full lenght human PDE7B using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay


J Med Chem 59: 1149-64 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01751
BindingDB Entry DOI: 10.7270/Q2X068W7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50150264
PNG
(CHEMBL3769817)
Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(cc3)-c3ccccn3)nc12 |r,c:9|
Show InChI InChI=1S/C29H27N7O/c1-34-28(37)25-26(31-21-8-3-2-4-9-21)35(33-27(25)36-24-12-7-11-23(24)32-29(34)36)18-19-13-15-20(16-14-19)22-10-5-6-17-30-22/h2-6,8-10,13-17,23-24,31H,7,11-12,18H2,1H3/t23-,24+/m1/s1
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600n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full lenght human PDE5A using fluorescent labeled cGMP as substrate after 15 mins by IMAP assay


J Med Chem 59: 1149-64 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01751
BindingDB Entry DOI: 10.7270/Q2X068W7
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B


(Homo sapiens (Human))
BDBM50150264
PNG
(CHEMBL3769817)
Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(cc3)-c3ccccn3)nc12 |r,c:9|
Show InChI InChI=1S/C29H27N7O/c1-34-28(37)25-26(31-21-8-3-2-4-9-21)35(33-27(25)36-24-12-7-11-23(24)32-29(34)36)18-19-13-15-20(16-14-19)22-10-5-6-17-30-22/h2-6,8-10,13-17,23-24,31H,7,11-12,18H2,1H3/t23-,24+/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human PDE3B using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay


J Med Chem 59: 1149-64 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01751
BindingDB Entry DOI: 10.7270/Q2X068W7
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50150264
PNG
(CHEMBL3769817)
Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(cc3)-c3ccccn3)nc12 |r,c:9|
Show InChI InChI=1S/C29H27N7O/c1-34-28(37)25-26(31-21-8-3-2-4-9-21)35(33-27(25)36-24-12-7-11-23(24)32-29(34)36)18-19-13-15-20(16-14-19)22-10-5-6-17-30-22/h2-6,8-10,13-17,23-24,31H,7,11-12,18H2,1H3/t23-,24+/m1/s1
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2.60E+3n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full lenght human PDE11A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay


J Med Chem 59: 1149-64 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01751
BindingDB Entry DOI: 10.7270/Q2X068W7
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50150264
PNG
(CHEMBL3769817)
Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(cc3)-c3ccccn3)nc12 |r,c:9|
Show InChI InChI=1S/C29H27N7O/c1-34-28(37)25-26(31-21-8-3-2-4-9-21)35(33-27(25)36-24-12-7-11-23(24)32-29(34)36)18-19-13-15-20(16-14-19)22-10-5-6-17-30-22/h2-6,8-10,13-17,23-24,31H,7,11-12,18H2,1H3/t23-,24+/m1/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full lenght human PDE10A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay


J Med Chem 59: 1149-64 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01751
BindingDB Entry DOI: 10.7270/Q2X068W7
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50150264
PNG
(CHEMBL3769817)
Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(cc3)-c3ccccn3)nc12 |r,c:9|
Show InChI InChI=1S/C29H27N7O/c1-34-28(37)25-26(31-21-8-3-2-4-9-21)35(33-27(25)36-24-12-7-11-23(24)32-29(34)36)18-19-13-15-20(16-14-19)22-10-5-6-17-30-22/h2-6,8-10,13-17,23-24,31H,7,11-12,18H2,1H3/t23-,24+/m1/s1
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6.10E+3n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full lenght human PDE9A using fluorescent labeled cGMP as substrate after 15 mins by IMAP assay


J Med Chem 59: 1149-64 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01751
BindingDB Entry DOI: 10.7270/Q2X068W7
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A


(Homo sapiens (Human))
BDBM50150264
PNG
(CHEMBL3769817)
Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(cc3)-c3ccccn3)nc12 |r,c:9|
Show InChI InChI=1S/C29H27N7O/c1-34-28(37)25-26(31-21-8-3-2-4-9-21)35(33-27(25)36-24-12-7-11-23(24)32-29(34)36)18-19-13-15-20(16-14-19)22-10-5-6-17-30-22/h2-6,8-10,13-17,23-24,31H,7,11-12,18H2,1H3/t23-,24+/m1/s1
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8.20E+3n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full lenght human PDE8A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay


J Med Chem 59: 1149-64 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01751
BindingDB Entry DOI: 10.7270/Q2X068W7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50150264
PNG
(CHEMBL3769817)
Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(cc3)-c3ccccn3)nc12 |r,c:9|
Show InChI InChI=1S/C29H27N7O/c1-34-28(37)25-26(31-21-8-3-2-4-9-21)35(33-27(25)36-24-12-7-11-23(24)32-29(34)36)18-19-13-15-20(16-14-19)22-10-5-6-17-30-22/h2-6,8-10,13-17,23-24,31H,7,11-12,18H2,1H3/t23-,24+/m1/s1
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2.40E+4n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human PDE2A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay


J Med Chem 59: 1149-64 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01751
BindingDB Entry DOI: 10.7270/Q2X068W7
More data for this
Ligand-Target Pair