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PubMed code 24944747

Compile data set for download or QSAR
Found 18 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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50021130
PNG
(CHEMBL3287658)
Show SMILES COc1nc2cccnc2n1-c1ccc(Nc2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C20H16N6O/c1-27-20-25-17-7-4-12-21-18(17)26(20)14-10-8-13(9-11-14)22-19-23-15-5-2-3-6-16(15)24-19/h2-12H,1H3,(H2,22,23,24)
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n/an/a 0.5n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (2014)


Article DOI: 10.1021/ml5000993
BindingDB Entry DOI: 10.7270/Q2T43VPW
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50021260
PNG
(CHEMBL3287907)
Show SMILES COc1nc2cccnc2n1[C@H]1C[C@@H](C1)Nc1nc2ccccc2s1
Show InChI InChI=1S/C18H17N5OS/c1-24-18-22-14-6-4-8-19-16(14)23(18)12-9-11(10-12)20-17-21-13-5-2-3-7-15(13)25-17/h2-8,11-12H,9-10H2,1H3,(H,20,21)/t11-,12-
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n/an/a 0.800n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (2014)


Article DOI: 10.1021/ml5000993
BindingDB Entry DOI: 10.7270/Q2T43VPW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50021256
PNG
(CHEMBL3287905)
Show SMILES COc1nc2cccnc2n1C1CC(C1)Nc1nc2ccccc2s1
Show InChI InChI=1S/C18H17N5OS/c1-24-18-22-14-6-4-8-19-16(14)23(18)12-9-11(10-12)20-17-21-13-5-2-3-7-15(13)25-17/h2-8,11-12H,9-10H2,1H3,(H,20,21)
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n/an/a 2.20n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (2014)


Article DOI: 10.1021/ml5000993
BindingDB Entry DOI: 10.7270/Q2T43VPW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50021259
PNG
(CHEMBL3287906)
Show SMILES COc1nc2cccnc2n1[C@@H]1C[C@@H](C1)Nc1nc2ccccc2s1
Show InChI InChI=1S/C18H17N5OS/c1-24-18-22-14-6-4-8-19-16(14)23(18)12-9-11(10-12)20-17-21-13-5-2-3-7-15(13)25-17/h2-8,11-12H,9-10H2,1H3,(H,20,21)/t11-,12+
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n/an/a 3.40n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (2014)


Article DOI: 10.1021/ml5000993
BindingDB Entry DOI: 10.7270/Q2T43VPW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50021188
PNG
(CHEMBL3287662)
Show SMILES COc1nc2cccnc2n1-c1ccc(Nc2ccc(C)cn2)cc1
Show InChI InChI=1S/C19H17N5O/c1-13-5-10-17(21-12-13)22-14-6-8-15(9-7-14)24-18-16(4-3-11-20-18)23-19(24)25-2/h3-12H,1-2H3,(H,21,22)
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n/an/a 4.10n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (2014)


Article DOI: 10.1021/ml5000993
BindingDB Entry DOI: 10.7270/Q2T43VPW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50021131
PNG
(CHEMBL3287659)
Show SMILES COc1nc2cccnc2n1-c1ccc(Nc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C20H15N5OS/c1-26-20-24-16-6-4-12-21-18(16)25(20)14-10-8-13(9-11-14)22-19-23-15-5-2-3-7-17(15)27-19/h2-12H,1H3,(H,22,23)
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n/an/a 5.70n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (2014)


Article DOI: 10.1021/ml5000993
BindingDB Entry DOI: 10.7270/Q2T43VPW
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50021251
PNG
(CHEMBL3287903)
Show SMILES CCCc1nc2cccnc2n1-c1ccc(Nc2ccc(C)cn2)cc1
Show InChI InChI=1S/C21H21N5/c1-3-5-20-25-18-6-4-13-22-21(18)26(20)17-10-8-16(9-11-17)24-19-12-7-15(2)14-23-19/h4,6-14H,3,5H2,1-2H3,(H,23,24)
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n/an/a 6.70n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (2014)


Article DOI: 10.1021/ml5000993
BindingDB Entry DOI: 10.7270/Q2T43VPW
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50021128
PNG
(CHEMBL3287657)
Show SMILES COc1nc2cccnc2n1-c1ccc(cc1)C(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H15N5O2/c1-28-21-25-17-7-4-12-22-20(17)26(21)14-10-8-13(9-11-14)18(27)19-23-15-5-2-3-6-16(15)24-19/h2-12H,1H3,(H,23,24)
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n/an/a 15n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (2014)


Article DOI: 10.1021/ml5000993
BindingDB Entry DOI: 10.7270/Q2T43VPW
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50021250
PNG
(CHEMBL3287902)
Show SMILES CCCc1nc2cccnc2n1-c1ccc(Nc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C22H19N5S/c1-2-6-20-25-18-8-5-14-23-21(18)27(20)16-12-10-15(11-13-16)24-22-26-17-7-3-4-9-19(17)28-22/h3-5,7-14H,2,6H2,1H3,(H,24,26)
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n/an/a 21n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (2014)


Article DOI: 10.1021/ml5000993
BindingDB Entry DOI: 10.7270/Q2T43VPW
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50021194
PNG
(CHEMBL3287900)
Show SMILES CCc1nc2cccnc2n1-c1ccc(Nc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C21H17N5S/c1-2-19-24-17-7-5-13-22-20(17)26(19)15-11-9-14(10-12-15)23-21-25-16-6-3-4-8-18(16)27-21/h3-13H,2H2,1H3,(H,23,25)
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n/an/a 22n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (2014)


Article DOI: 10.1021/ml5000993
BindingDB Entry DOI: 10.7270/Q2T43VPW
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50021192
PNG
(CHEMBL3287665)
Show SMILES Cc1nc2cccnc2n1-c1ccc(Nc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C20H15N5S/c1-13-22-17-6-4-12-21-19(17)25(13)15-10-8-14(9-11-15)23-20-24-16-5-2-3-7-18(16)26-20/h2-12H,1H3,(H,23,24)
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n/an/a 37n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (2014)


Article DOI: 10.1021/ml5000993
BindingDB Entry DOI: 10.7270/Q2T43VPW
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50021168
PNG
(CHEMBL3287661)
Show SMILES COc1nc2cccnc2n1-c1ccc(Nc2ccc(Cl)cn2)cc1
Show InChI InChI=1S/C18H14ClN5O/c1-25-18-23-15-3-2-10-20-17(15)24(18)14-7-5-13(6-8-14)22-16-9-4-12(19)11-21-16/h2-11H,1H3,(H,21,22)
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n/an/a 40n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (2014)


Article DOI: 10.1021/ml5000993
BindingDB Entry DOI: 10.7270/Q2T43VPW
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50021249
PNG
(CHEMBL3287901)
Show SMILES CCc1nc2cccnc2n1-c1ccc(Nc2ccc(C)cn2)cc1
Show InChI InChI=1S/C20H19N5/c1-3-19-24-17-5-4-12-21-20(17)25(19)16-9-7-15(8-10-16)23-18-11-6-14(2)13-22-18/h4-13H,3H2,1-2H3,(H,22,23)
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n/an/a 47n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (2014)


Article DOI: 10.1021/ml5000993
BindingDB Entry DOI: 10.7270/Q2T43VPW
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50021193
PNG
(CHEMBL3287899)
Show SMILES Cc1nc2cccnc2n1-c1ccc(Nc2ccc(C)cn2)cc1
Show InChI InChI=1S/C19H17N5/c1-13-5-10-18(21-12-13)23-15-6-8-16(9-7-15)24-14(2)22-17-4-3-11-20-19(17)24/h3-12H,1-2H3,(H,21,23)
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n/an/a 52n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (2014)


Article DOI: 10.1021/ml5000993
BindingDB Entry DOI: 10.7270/Q2T43VPW
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50021191
PNG
(CHEMBL3287664)
Show SMILES N(c1nc2ccccc2s1)c1ccc(cc1)-n1cnc2cccnc12
Show InChI InChI=1S/C19H13N5S/c1-2-6-17-15(4-1)23-19(25-17)22-13-7-9-14(10-8-13)24-12-21-16-5-3-11-20-18(16)24/h1-12H,(H,22,23)
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n/an/a 105n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (2014)


Article DOI: 10.1021/ml5000993
BindingDB Entry DOI: 10.7270/Q2T43VPW
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50021162
PNG
(CHEMBL3287660)
Show SMILES COc1nc2cccnc2n1-c1ccc(Nc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C22H17N5O/c1-28-22-26-19-7-4-14-23-21(19)27(22)17-11-9-16(10-12-17)24-20-13-8-15-5-2-3-6-18(15)25-20/h2-14H,1H3,(H,24,25)
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n/an/a 115n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (2014)


Article DOI: 10.1021/ml5000993
BindingDB Entry DOI: 10.7270/Q2T43VPW
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50021252
PNG
(CHEMBL3287904)
Show SMILES COc1nc2cccnc2n1C1CCC(CC1)Nc1nc2ccccc2s1
Show InChI InChI=1S/C20H21N5OS/c1-26-20-24-16-6-4-12-21-18(16)25(20)14-10-8-13(9-11-14)22-19-23-15-5-2-3-7-17(15)27-19/h2-7,12-14H,8-11H2,1H3,(H,22,23)
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n/an/a 271n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (2014)


Article DOI: 10.1021/ml5000993
BindingDB Entry DOI: 10.7270/Q2T43VPW
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50021190
PNG
(CHEMBL3287663)
Show SMILES Nc1cccnc1Nc1ccc(Nc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C18H15N5S/c19-14-4-3-11-20-17(14)21-12-7-9-13(10-8-12)22-18-23-15-5-1-2-6-16(15)24-18/h1-11H,19H2,(H,20,21)(H,22,23)
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n/an/a 404n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (2014)


Article DOI: 10.1021/ml5000993
BindingDB Entry DOI: 10.7270/Q2T43VPW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%