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BDBM50425123 CHEMBL2313234::US9669035, B-3

SMILES: Cc1nc2ccc(CN3CCOCC3)cc2n2c(nnc12)-c1ccccc1Cl

InChI Key: InChIKey=LZRGPVBUCASWQB-UHFFFAOYSA-N

Data: 15 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50425123   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50425123
PNG
(CHEMBL2313234 | US9669035, B-3)
Show SMILES Cc1nc2ccc(CN3CCOCC3)cc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClN5O/c1-14-20-24-25-21(16-4-2-3-5-17(16)22)27(20)19-12-15(6-7-18(19)23-14)13-26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5A expressed in Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 23: 785-90 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.077
BindingDB Entry DOI: 10.7270/Q2C82BMR
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50425123
PNG
(CHEMBL2313234 | US9669035, B-3)
Show SMILES Cc1nc2ccc(CN3CCOCC3)cc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClN5O/c1-14-20-24-25-21(16-4-2-3-5-17(16)22)27(20)19-12-15(6-7-18(19)23-14)13-26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3
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n/an/a 2.80n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE2A expressed in Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 23: 785-90 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.077
BindingDB Entry DOI: 10.7270/Q2C82BMR
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50425123
PNG
(CHEMBL2313234 | US9669035, B-3)
Show SMILES Cc1nc2ccc(CN3CCOCC3)cc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClN5O/c1-14-20-24-25-21(16-4-2-3-5-17(16)22)27(20)19-12-15(6-7-18(19)23-14)13-26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3
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n/an/a 35n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of rat PDE10A expressed in Sf9 cells incubated for 60 mins using [3H]-cAMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50425123
PNG
(CHEMBL2313234 | US9669035, B-3)
Show SMILES Cc1nc2ccc(CN3CCOCC3)cc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClN5O/c1-14-20-24-25-21(16-4-2-3-5-17(16)22)27(20)19-12-15(6-7-18(19)23-14)13-26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3
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US Patent
n/an/a 2.30n/an/an/an/a7.825



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Human recombinant PDE2A (hPDE2A) was expressed in Sf9 cells using a recombinant rPDE10A baculovirus construct. Cells were harvested after 48 h of inf...


US Patent US9669035 (2017)


BindingDB Entry DOI: 10.7270/Q2Z60M6H
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50425123
PNG
(CHEMBL2313234 | US9669035, B-3)
Show SMILES Cc1nc2ccc(CN3CCOCC3)cc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClN5O/c1-14-20-24-25-21(16-4-2-3-5-17(16)22)27(20)19-12-15(6-7-18(19)23-14)13-26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3
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US Patent
n/an/a 34n/an/an/an/a7.825



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Rat recombinant PDE10A (rPDE10A2) was expressed in Sf9 cells using a recombinant rPDE10A baculovirus construct. Cells were harvested after 48 h of in...


US Patent US9669035 (2017)


BindingDB Entry DOI: 10.7270/Q2Z60M6H
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50425123
PNG
(CHEMBL2313234 | US9669035, B-3)
Show SMILES Cc1nc2ccc(CN3CCOCC3)cc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClN5O/c1-14-20-24-25-21(16-4-2-3-5-17(16)22)27(20)19-12-15(6-7-18(19)23-14)13-26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3
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n/an/a 35n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat PDE10A expressed in Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 23: 785-90 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.077
BindingDB Entry DOI: 10.7270/Q2C82BMR
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase B


(Homo sapiens (Human))
BDBM50425123
PNG
(CHEMBL2313234 | US9669035, B-3)
Show SMILES Cc1nc2ccc(CN3CCOCC3)cc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClN5O/c1-14-20-24-25-21(16-4-2-3-5-17(16)22)27(20)19-12-15(6-7-18(19)23-14)13-26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3B expressed in Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 23: 785-90 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.077
BindingDB Entry DOI: 10.7270/Q2C82BMR
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50425123
PNG
(CHEMBL2313234 | US9669035, B-3)
Show SMILES Cc1nc2ccc(CN3CCOCC3)cc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClN5O/c1-14-20-24-25-21(16-4-2-3-5-17(16)22)27(20)19-12-15(6-7-18(19)23-14)13-26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE11A expressed in Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 23: 785-90 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.077
BindingDB Entry DOI: 10.7270/Q2C82BMR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50425123
PNG
(CHEMBL2313234 | US9669035, B-3)
Show SMILES Cc1nc2ccc(CN3CCOCC3)cc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClN5O/c1-14-20-24-25-21(16-4-2-3-5-17(16)22)27(20)19-12-15(6-7-18(19)23-14)13-26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3
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n/an/a 33n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A expressed in Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 23: 785-90 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.077
BindingDB Entry DOI: 10.7270/Q2C82BMR
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50425123
PNG
(CHEMBL2313234 | US9669035, B-3)
Show SMILES Cc1nc2ccc(CN3CCOCC3)cc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClN5O/c1-14-20-24-25-21(16-4-2-3-5-17(16)22)27(20)19-12-15(6-7-18(19)23-14)13-26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 23: 785-90 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.077
BindingDB Entry DOI: 10.7270/Q2C82BMR
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50425123
PNG
(CHEMBL2313234 | US9669035, B-3)
Show SMILES Cc1nc2ccc(CN3CCOCC3)cc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClN5O/c1-14-20-24-25-21(16-4-2-3-5-17(16)22)27(20)19-12-15(6-7-18(19)23-14)13-26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3
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n/an/a 1.91E+3n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A expressed in Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 23: 785-90 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.077
BindingDB Entry DOI: 10.7270/Q2C82BMR
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50425123
PNG
(CHEMBL2313234 | US9669035, B-3)
Show SMILES Cc1nc2ccc(CN3CCOCC3)cc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClN5O/c1-14-20-24-25-21(16-4-2-3-5-17(16)22)27(20)19-12-15(6-7-18(19)23-14)13-26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4A expressed in Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 23: 785-90 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.077
BindingDB Entry DOI: 10.7270/Q2C82BMR
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM50425123
PNG
(CHEMBL2313234 | US9669035, B-3)
Show SMILES Cc1nc2ccc(CN3CCOCC3)cc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClN5O/c1-14-20-24-25-21(16-4-2-3-5-17(16)22)27(20)19-12-15(6-7-18(19)23-14)13-26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3
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n/an/a 7.76E+3n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3A expressed in Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 23: 785-90 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.077
BindingDB Entry DOI: 10.7270/Q2C82BMR
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM50425123
PNG
(CHEMBL2313234 | US9669035, B-3)
Show SMILES Cc1nc2ccc(CN3CCOCC3)cc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClN5O/c1-14-20-24-25-21(16-4-2-3-5-17(16)22)27(20)19-12-15(6-7-18(19)23-14)13-26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1B expressed in Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 23: 785-90 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.077
BindingDB Entry DOI: 10.7270/Q2C82BMR
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50425123
PNG
(CHEMBL2313234 | US9669035, B-3)
Show SMILES Cc1nc2ccc(CN3CCOCC3)cc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClN5O/c1-14-20-24-25-21(16-4-2-3-5-17(16)22)27(20)19-12-15(6-7-18(19)23-14)13-26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3
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n/an/a 2.80n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A expressed in Sf9 cells incubated for 40 mins using [3H]-cGMP substrate by scintillation counting method


ACS Med Chem Lett 5: 1049-53 (2014)


Article DOI: 10.1021/ml500262u
BindingDB Entry DOI: 10.7270/Q2QN68DN
More data for this
Ligand-Target Pair