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BDBM98898 US8497265, 224

SMILES: OCC1CCN(CC1)c1nc2ccccc2nc1OC1CN(C1)c1ccc2ccccc2n1

InChI Key: InChIKey=YGQUPXYJXOSCNR-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 98898   
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
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM98898
PNG
(US8497265, 224)
Show SMILES OCC1CCN(CC1)c1nc2ccccc2nc1OC1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H27N5O2/c32-17-18-11-13-30(14-12-18)25-26(29-23-8-4-3-7-22(23)28-25)33-20-15-31(16-20)24-10-9-19-5-1-2-6-21(19)27-24/h1-10,18,20,32H,11-17H2
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US Patent
n/an/a 9.75n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).


US Patent US8497265 (2013)


BindingDB Entry DOI: 10.7270/Q2VD6X39
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM98898
PNG
(US8497265, 224)
Show SMILES OCC1CCN(CC1)c1nc2ccccc2nc1OC1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H27N5O2/c32-17-18-11-13-30(14-12-18)25-26(29-23-8-4-3-7-22(23)28-25)33-20-15-31(16-20)24-10-9-19-5-1-2-6-21(19)27-24/h1-10,18,20,32H,11-17H2
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Article
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n/an/a 6.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A using FAM-cAMP substrate by TR-FRET progressive binding assay


Bioorg Med Chem 22: 6570-85 (2015)


Article DOI: 10.1016/j.bmc.2014.10.013
BindingDB Entry DOI: 10.7270/Q2RB766Q
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM98898
PNG
(US8497265, 224)
Show SMILES OCC1CCN(CC1)c1nc2ccccc2nc1OC1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H27N5O2/c32-17-18-11-13-30(14-12-18)25-26(29-23-8-4-3-7-22(23)28-25)33-20-15-31(16-20)24-10-9-19-5-1-2-6-21(19)27-24/h1-10,18,20,32H,11-17H2
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n/an/a 6.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 using FAM-cAMP substrate by TR-FRET progressive binding assay


Bioorg Med Chem 22: 6570-85 (2015)


Article DOI: 10.1016/j.bmc.2014.10.013
BindingDB Entry DOI: 10.7270/Q2RB766Q
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM98898
PNG
(US8497265, 224)
Show SMILES OCC1CCN(CC1)c1nc2ccccc2nc1OC1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H27N5O2/c32-17-18-11-13-30(14-12-18)25-26(29-23-8-4-3-7-22(23)28-25)33-20-15-31(16-20)24-10-9-19-5-1-2-6-21(19)27-24/h1-10,18,20,32H,11-17H2
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n/an/a 1.06E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human PDE11A4 using FAM-cAMP substrate by TR-FRET progressive binding assay


Bioorg Med Chem 22: 6570-85 (2015)


Article DOI: 10.1016/j.bmc.2014.10.013
BindingDB Entry DOI: 10.7270/Q2RB766Q
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM98898
PNG
(US8497265, 224)
Show SMILES OCC1CCN(CC1)c1nc2ccccc2nc1OC1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H27N5O2/c32-17-18-11-13-30(14-12-18)25-26(29-23-8-4-3-7-22(23)28-25)33-20-15-31(16-20)24-10-9-19-5-1-2-6-21(19)27-24/h1-10,18,20,32H,11-17H2
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n/an/a 7.61E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human PDE1B using FAM-cAMP substrate by TR-FRET progressive binding assay


Bioorg Med Chem 22: 6570-85 (2015)


Article DOI: 10.1016/j.bmc.2014.10.013
BindingDB Entry DOI: 10.7270/Q2RB766Q
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM98898
PNG
(US8497265, 224)
Show SMILES OCC1CCN(CC1)c1nc2ccccc2nc1OC1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H27N5O2/c32-17-18-11-13-30(14-12-18)25-26(29-23-8-4-3-7-22(23)28-25)33-20-15-31(16-20)24-10-9-19-5-1-2-6-21(19)27-24/h1-10,18,20,32H,11-17H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human PDE9A2 using FAM-cGMP substrate by TR-FRET progressive binding assay


Bioorg Med Chem 22: 6570-85 (2015)


Article DOI: 10.1016/j.bmc.2014.10.013
BindingDB Entry DOI: 10.7270/Q2RB766Q
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM98898
PNG
(US8497265, 224)
Show SMILES OCC1CCN(CC1)c1nc2ccccc2nc1OC1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H27N5O2/c32-17-18-11-13-30(14-12-18)25-26(29-23-8-4-3-7-22(23)28-25)33-20-15-31(16-20)24-10-9-19-5-1-2-6-21(19)27-24/h1-10,18,20,32H,11-17H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A using FAM-cAMP substrate by TR-FRET progressive binding assay


Bioorg Med Chem 22: 6570-85 (2015)


Article DOI: 10.1016/j.bmc.2014.10.013
BindingDB Entry DOI: 10.7270/Q2RB766Q
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM98898
PNG
(US8497265, 224)
Show SMILES OCC1CCN(CC1)c1nc2ccccc2nc1OC1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H27N5O2/c32-17-18-11-13-30(14-12-18)25-26(29-23-8-4-3-7-22(23)28-25)33-20-15-31(16-20)24-10-9-19-5-1-2-6-21(19)27-24/h1-10,18,20,32H,11-17H2
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n/an/a 2.05E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 using FAM-cAMP substrate by TR-FRET progressive binding assay


Bioorg Med Chem 22: 6570-85 (2015)


Article DOI: 10.1016/j.bmc.2014.10.013
BindingDB Entry DOI: 10.7270/Q2RB766Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM98898
PNG
(US8497265, 224)
Show SMILES OCC1CCN(CC1)c1nc2ccccc2nc1OC1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H27N5O2/c32-17-18-11-13-30(14-12-18)25-26(29-23-8-4-3-7-22(23)28-25)33-20-15-31(16-20)24-10-9-19-5-1-2-6-21(19)27-24/h1-10,18,20,32H,11-17H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A using FAM-cGMP substrate by TR-FRET progressive binding assay


Bioorg Med Chem 22: 6570-85 (2015)


Article DOI: 10.1016/j.bmc.2014.10.013
BindingDB Entry DOI: 10.7270/Q2RB766Q
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM98898
PNG
(US8497265, 224)
Show SMILES OCC1CCN(CC1)c1nc2ccccc2nc1OC1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H27N5O2/c32-17-18-11-13-30(14-12-18)25-26(29-23-8-4-3-7-22(23)28-25)33-20-15-31(16-20)24-10-9-19-5-1-2-6-21(19)27-24/h1-10,18,20,32H,11-17H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 using FAM-cAMP substrate by TR-FRET progressive binding assay


Bioorg Med Chem 22: 6570-85 (2015)


Article DOI: 10.1016/j.bmc.2014.10.013
BindingDB Entry DOI: 10.7270/Q2RB766Q
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (Human))
BDBM98898
PNG
(US8497265, 224)
Show SMILES OCC1CCN(CC1)c1nc2ccccc2nc1OC1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H27N5O2/c32-17-18-11-13-30(14-12-18)25-26(29-23-8-4-3-7-22(23)28-25)33-20-15-31(16-20)24-10-9-19-5-1-2-6-21(19)27-24/h1-10,18,20,32H,11-17H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human PDE8A1 using FAM-cAMP substrate by TR-FRET progressive binding assay


Bioorg Med Chem 22: 6570-85 (2015)


Article DOI: 10.1016/j.bmc.2014.10.013
BindingDB Entry DOI: 10.7270/Q2RB766Q
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM98898
PNG
(US8497265, 224)
Show SMILES OCC1CCN(CC1)c1nc2ccccc2nc1OC1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H27N5O2/c32-17-18-11-13-30(14-12-18)25-26(29-23-8-4-3-7-22(23)28-25)33-20-15-31(16-20)24-10-9-19-5-1-2-6-21(19)27-24/h1-10,18,20,32H,11-17H2
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n/an/a 1.29E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A1 using FAM-cAMP substrate by TR-FRET progressive binding assay


Bioorg Med Chem 22: 6570-85 (2015)


Article DOI: 10.1016/j.bmc.2014.10.013
BindingDB Entry DOI: 10.7270/Q2RB766Q
More data for this
Ligand-Target Pair