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PubMed code 26378882

Compile data set for download or QSAR
Found 45 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))
BDBM126826
PNG
(US8785467, 1-29)
Show SMILES Cc1nc(C)c(CNc2nc(OCCCc3ccc4ccccc4n3)nc(Cl)c2C)s1
Show InChI InChI=1S/C23H24ClN5OS/c1-14-21(24)28-23(29-22(14)25-13-20-15(2)26-16(3)31-20)30-12-6-8-18-11-10-17-7-4-5-9-19(17)27-18/h4-5,7,9-11H,6,8,12-13H2,1-3H3,(H,25,28,29)
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0.00820n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM126825
PNG
(US8785467, 1-27)
Show SMILES Cc1nc(C)c(CNc2nc(OCCCc3nc4ccccc4[nH]3)nc(Cl)c2C)s1
Show InChI InChI=1S/C21H23ClN6OS/c1-12-19(22)27-21(28-20(12)23-11-17-13(2)24-14(3)30-17)29-10-6-9-18-25-15-7-4-5-8-16(15)26-18/h4-5,7-8H,6,9-11H2,1-3H3,(H,25,26)(H,23,27,28)
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0.0200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM126827
PNG
(US8785467, 1-32)
Show SMILES Cc1nc(C)c(CNc2nc(OCCOc3ccc4cccnc4n3)nc(Cl)c2C)s1
Show InChI InChI=1S/C21H21ClN6O2S/c1-12-18(22)27-21(28-19(12)24-11-16-13(2)25-14(3)31-16)30-10-9-29-17-7-6-15-5-4-8-23-20(15)26-17/h4-8H,9-11H2,1-3H3,(H,24,27,28)
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0.0400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124648
PNG
(CHEMBL3622901)
Show SMILES Cc1nc(C)c(CNc2nc(OCCCc3cn4ccccc4n3)nc(Cl)c2C)s1
Show InChI InChI=1S/C21H23ClN6OS/c1-13-19(22)26-21(27-20(13)23-11-17-14(2)24-15(3)30-17)29-10-6-7-16-12-28-9-5-4-8-18(28)25-16/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,23,26,27)
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0.0470n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124649
PNG
(CHEMBL3622902)
Show SMILES Cc1nc(C)c(CNc2nc(OCCCc3nc4ccccc4s3)nc(Cl)c2C)s1
Show InChI InChI=1S/C21H22ClN5OS2/c1-12-19(22)26-21(27-20(12)23-11-17-13(2)24-14(3)29-17)28-10-6-9-18-25-15-7-4-5-8-16(15)30-18/h4-5,7-8H,6,9-11H2,1-3H3,(H,23,26,27)
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0.0550n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124650
PNG
(CHEMBL3622903)
Show SMILES Cc1nc(C)c(CNc2nc(OCCCc3ccc4cccnc4n3)nc(Cl)c2C)s1
Show InChI InChI=1S/C22H23ClN6OS/c1-13-19(23)28-22(29-20(13)25-12-18-14(2)26-15(3)31-18)30-11-5-7-17-9-8-16-6-4-10-24-21(16)27-17/h4,6,8-10H,5,7,11-12H2,1-3H3,(H,25,28,29)
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0.110n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124651
PNG
(CHEMBL3622904)
Show SMILES Cc1nc(C)c(CNc2nc(OCCCc3cnc4ccccc4n3)nc(Cl)c2C)s1
Show InChI InChI=1S/C22H23ClN6OS/c1-13-20(23)28-22(29-21(13)25-12-19-14(2)26-15(3)31-19)30-10-6-7-16-11-24-17-8-4-5-9-18(17)27-16/h4-5,8-9,11H,6-7,10,12H2,1-3H3,(H,25,28,29)
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0.370n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124644
PNG
(CHEMBL3622894)
Show SMILES Cc1nc(C)c(CNc2nc(OCCc3ccccn3)nc(Cl)c2C)s1
Show InChI InChI=1S/C18H20ClN5OS/c1-11-16(19)23-18(25-9-7-14-6-4-5-8-20-14)24-17(11)21-10-15-12(2)22-13(3)26-15/h4-6,8H,7,9-10H2,1-3H3,(H,21,23,24)
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124629
PNG
(CHEMBL3622879)
Show SMILES Cc1nc(C)c(CNc2nc(nc(Cl)c2C)C2CC2)s1
Show InChI InChI=1S/C14H17ClN4S/c1-7-12(15)18-14(10-4-5-10)19-13(7)16-6-11-8(2)17-9(3)20-11/h10H,4-6H2,1-3H3,(H,16,18,19)
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4.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124641
PNG
(CHEMBL3622891)
Show SMILES CCCOc1nc(Cl)c(C)c(NCc2sc(C)nc2C)n1
Show InChI InChI=1S/C14H19ClN4OS/c1-5-6-20-14-18-12(15)8(2)13(19-14)16-7-11-9(3)17-10(4)21-11/h5-7H2,1-4H3,(H,16,18,19)
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5.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124642
PNG
(CHEMBL3622892)
Show SMILES COc1nc(Cl)c(C)c(NCc2sc(C)nc2C)n1
Show InChI InChI=1S/C12H15ClN4OS/c1-6-10(13)16-12(18-4)17-11(6)14-5-9-7(2)15-8(3)19-9/h5H2,1-4H3,(H,14,16,17)
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8.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124646
PNG
(CHEMBL3622896)
Show SMILES Cc1nc(C)c(CNc2nc(OCCc3ccccc3)nc(Cl)c2C)s1
Show InChI InChI=1S/C19H21ClN4OS/c1-12-17(20)23-19(25-10-9-15-7-5-4-6-8-15)24-18(12)21-11-16-13(2)22-14(3)26-16/h4-8H,9-11H2,1-3H3,(H,21,23,24)
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9n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124638
PNG
(CHEMBL3622888)
Show SMILES COc1ncc(CNc2nc(nc(Cl)c2C)C2CC2)s1
Show InChI InChI=1S/C13H15ClN4OS/c1-7-10(14)17-12(8-3-4-8)18-11(7)15-5-9-6-16-13(19-2)20-9/h6,8H,3-5H2,1-2H3,(H,15,17,18)
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10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124643
PNG
(CHEMBL3622893)
Show SMILES Cc1nc(C)c(CNc2nc(OCCO)nc(Cl)c2C)s1
Show InChI InChI=1S/C13H17ClN4O2S/c1-7-11(14)17-13(20-5-4-19)18-12(7)15-6-10-8(2)16-9(3)21-10/h19H,4-6H2,1-3H3,(H,15,17,18)
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12n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124639
PNG
(CHEMBL3622889)
Show SMILES Cc1nc(CNc2nc(nc(Cl)c2C)C2CC2)cs1
Show InChI InChI=1S/C13H15ClN4S/c1-7-11(14)17-13(9-3-4-9)18-12(7)15-5-10-6-19-8(2)16-10/h6,9H,3-5H2,1-2H3,(H,15,17,18)
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18n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124635
PNG
(CHEMBL3622885)
Show SMILES Cc1ncc(CNc2nc(nc(Cl)c2C)C2CC2)s1
Show InChI InChI=1S/C13H15ClN4S/c1-7-11(14)17-13(9-3-4-9)18-12(7)16-6-10-5-15-8(2)19-10/h5,9H,3-4,6H2,1-2H3,(H,16,17,18)
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26n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124701
PNG
(CHEMBL3621552)
Show SMILES Cc1c(Cl)nc(nc1NCc1cnn(C)c1)C1CC1
Show InChI InChI=1S/C13H16ClN5/c1-8-11(14)17-13(10-3-4-10)18-12(8)15-5-9-6-16-19(2)7-9/h6-7,10H,3-5H2,1-2H3,(H,15,17,18)
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37n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124627
PNG
(CHEMBL3622877)
Show SMILES Cc1cc(CNc2nc(nc(Cl)c2C)C2CC2)on1
Show InChI InChI=1S/C13H15ClN4O/c1-7-5-10(19-18-7)6-15-12-8(2)11(14)16-13(17-12)9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,15,16,17)
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38n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124631
PNG
(CHEMBL3622881)
Show SMILES Cc1cc(CNc2nc(nc(Cl)c2C)C2CC2)no1
Show InChI InChI=1S/C13H15ClN4O/c1-7-5-10(18-19-7)6-15-12-8(2)11(14)16-13(17-12)9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,15,16,17)
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51n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124633
PNG
(CHEMBL3622883)
Show SMILES Cc1ccc(CNc2nc(nc(Cl)c2C)C2CC2)cn1
Show InChI InChI=1S/C15H17ClN4/c1-9-3-4-11(7-17-9)8-18-14-10(2)13(16)19-15(20-14)12-5-6-12/h3-4,7,12H,5-6,8H2,1-2H3,(H,18,19,20)
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130n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124700
PNG
(CHEMBL3621551)
Show SMILES Cc1c(Cl)nc(nc1NCC(F)=C)C1CC1
Show InChI InChI=1S/C11H13ClFN3/c1-6(13)5-14-10-7(2)9(12)15-11(16-10)8-3-4-8/h8H,1,3-5H2,2H3,(H,14,15,16)
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180n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124703
PNG
(CHEMBL3621554)
Show SMILES Cc1c(Cl)nc(nc1NCc1ccncc1)C1CC1
Show InChI InChI=1S/C14H15ClN4/c1-9-12(15)18-14(11-2-3-11)19-13(9)17-8-10-4-6-16-7-5-10/h4-7,11H,2-3,8H2,1H3,(H,17,18,19)
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200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124626
PNG
(CHEMBL3622876)
Show SMILES CN(Cc1cnn(C)c1)c1nc(nc(Cl)c1C)C1CC1
Show InChI InChI=1S/C14H18ClN5/c1-9-12(15)17-13(11-4-5-11)18-14(9)19(2)7-10-6-16-20(3)8-10/h6,8,11H,4-5,7H2,1-3H3
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220n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124647
PNG
(CHEMBL3622897)
Show SMILES Cc1nc(C)c(CNc2nc(OCCC3CCCCC3)nc(Cl)c2C)s1
Show InChI InChI=1S/C19H27ClN4OS/c1-12-17(20)23-19(25-10-9-15-7-5-4-6-8-15)24-18(12)21-11-16-13(2)22-14(3)26-16/h15H,4-11H2,1-3H3,(H,21,23,24)
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400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124628
PNG
(CHEMBL3622878)
Show SMILES CN(Cc1cc(C)no1)c1nc(nc(Cl)c1C)C1CC1
Show InChI InChI=1S/C14H17ClN4O/c1-8-6-11(20-18-8)7-19(3)14-9(2)12(15)16-13(17-14)10-4-5-10/h6,10H,4-5,7H2,1-3H3
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540n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124645
PNG
(CHEMBL3622895)
Show SMILES Cc1nc(C)c(CNc2nc(OCCC3CCCCN3)nc(Cl)c2C)s1
Show InChI InChI=1S/C18H26ClN5OS/c1-11-16(19)23-18(25-9-7-14-6-4-5-8-20-14)24-17(11)21-10-15-12(2)22-13(3)26-15/h14,20H,4-10H2,1-3H3,(H,21,23,24)
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590n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124698
PNG
(CHEMBL3621549)
Show SMILES Cc1c(Cl)nc(nc1NCc1ccoc1)C1CC1
Show InChI InChI=1S/C13H14ClN3O/c1-8-11(14)16-13(10-2-3-10)17-12(8)15-6-9-4-5-18-7-9/h4-5,7,10H,2-3,6H2,1H3,(H,15,16,17)
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680n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124632
PNG
(CHEMBL3622882)
Show SMILES Cc1c(Cl)nc(nc1NCc1ccon1)C1CC1
Show InChI InChI=1S/C12H13ClN4O/c1-7-10(13)15-12(8-2-3-8)16-11(7)14-6-9-4-5-18-17-9/h4-5,8H,2-3,6H2,1H3,(H,14,15,16)
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810n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124697
PNG
(CHEMBL3621548)
Show SMILES CCCNc1nc(nc(Cl)c1C)C1CC1
Show InChI InChI=1S/C11H16ClN3/c1-3-6-13-10-7(2)9(12)14-11(15-10)8-4-5-8/h8H,3-6H2,1-2H3,(H,13,14,15)
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880n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124625
PNG
(CHEMBL3621555)
Show SMILES CC(Nc1nc(nc(Cl)c1C)C1CC1)c1ccncc1
Show InChI InChI=1S/C15H17ClN4/c1-9-13(16)19-15(12-3-4-12)20-14(9)18-10(2)11-5-7-17-8-6-11/h5-8,10,12H,3-4H2,1-2H3,(H,18,19,20)
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890n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124634
PNG
(CHEMBL3622884)
Show SMILES Cc1c(Cl)nc(nc1NCc1cccnc1)C1CC1
Show InChI InChI=1S/C14H15ClN4/c1-9-12(15)18-14(11-4-5-11)19-13(9)17-8-10-3-2-6-16-7-10/h2-3,6-7,11H,4-5,8H2,1H3,(H,17,18,19)
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1.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124637
PNG
(CHEMBL3622887)
Show SMILES Cc1c(Cl)nc(nc1NCc1cncs1)C1CC1
Show InChI InChI=1S/C12H13ClN4S/c1-7-10(13)16-12(8-2-3-8)17-11(7)15-5-9-4-14-6-18-9/h4,6,8H,2-3,5H2,1H3,(H,15,16,17)
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1.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124695
PNG
(CHEMBL3621546)
Show SMILES CCNc1nc(nc(Cl)c1C)C1CC1
Show InChI InChI=1S/C10H14ClN3/c1-3-12-9-6(2)8(11)13-10(14-9)7-4-5-7/h7H,3-5H2,1-2H3,(H,12,13,14)
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1.20E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124630
PNG
(CHEMBL3622880)
Show SMILES Cc1nc2CCN(Cc2s1)c1nc(nc(Cl)c1C)C1CC1
Show InChI InChI=1S/C15H17ClN4S/c1-8-13(16)18-14(10-3-4-10)19-15(8)20-6-5-11-12(7-20)21-9(2)17-11/h10H,3-7H2,1-2H3
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1.30E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124699
PNG
(CHEMBL3621550)
Show SMILES Cc1c(Cl)nc(nc1NCc1ccccc1)C1CC1
Show InChI InChI=1S/C15H16ClN3/c1-10-13(16)18-15(12-7-8-12)19-14(10)17-9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,17,18,19)
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1.40E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124702
PNG
(CHEMBL3621553)
Show SMILES Cc1c(Cl)nc(nc1NCCc1cnn(C)c1)C1CC1
Show InChI InChI=1S/C14H18ClN5/c1-9-12(15)18-14(11-3-4-11)19-13(9)16-6-5-10-7-17-20(2)8-10/h7-8,11H,3-6H2,1-2H3,(H,16,18,19)
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1.50E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124636
PNG
(CHEMBL3622886)
Show SMILES Cc1ncsc1CNc1nc(nc(Cl)c1C)C1CC1
Show InChI InChI=1S/C13H15ClN4S/c1-7-11(14)17-13(9-3-4-9)18-12(7)15-5-10-8(2)16-6-19-10/h6,9H,3-5H2,1-2H3,(H,15,17,18)
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1.60E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124692
PNG
(CHEMBL3621543)
Show SMILES Cc1c(Cl)nc(nc1N1CCCCC1)C1CC1
Show InChI InChI=1S/C13H18ClN3/c1-9-11(14)15-12(10-5-6-10)16-13(9)17-7-3-2-4-8-17/h10H,2-8H2,1H3
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2.10E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124691
PNG
(CHEMBL3622906)
Show SMILES Cc1c(N)nc(nc1Cl)C1CC1
Show InChI InChI=1S/C8H10ClN3/c1-4-6(9)11-8(5-2-3-5)12-7(4)10/h5H,2-3H2,1H3,(H2,10,11,12)
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2.20E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124696
PNG
(CHEMBL3621547)
Show SMILES Cc1c(Cl)nc(nc1NC1CCCC1)C1CC1
Show InChI InChI=1S/C13H18ClN3/c1-8-11(14)16-13(9-6-7-9)17-12(8)15-10-4-2-3-5-10/h9-10H,2-7H2,1H3,(H,15,16,17)
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2.80E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124694
PNG
(CHEMBL3621545)
Show SMILES CC(C)Nc1nc(nc(Cl)c1C)C1CC1
Show InChI InChI=1S/C11H16ClN3/c1-6(2)13-10-7(3)9(12)14-11(15-10)8-4-5-8/h6,8H,4-5H2,1-3H3,(H,13,14,15)
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3.60E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124693
PNG
(CHEMBL3621544)
Show SMILES Cc1c(Cl)nc(nc1N1CCNCC1)C1CC1
Show InChI InChI=1S/C12H17ClN4/c1-8-10(13)15-11(9-2-3-9)16-12(8)17-6-4-14-5-7-17/h9,14H,2-7H2,1H3
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4.60E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124704
PNG
(CHEMBL3621542)
Show SMILES Cc1c(Cl)nc(nc1N1CCCC1)C1CC1
Show InChI InChI=1S/C12H16ClN3/c1-8-10(13)14-11(9-4-5-9)15-12(8)16-6-2-3-7-16/h9H,2-7H2,1H3
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5.30E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124640
PNG
(CHEMBL3622890)
Show SMILES Cc1csc(CNc2nc(nc(Cl)c2C)C2CC2)n1
Show InChI InChI=1S/C13H15ClN4S/c1-7-6-19-10(16-7)5-15-12-8(2)11(14)17-13(18-12)9-3-4-9/h6,9H,3-5H2,1-2H3,(H,15,17,18)
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6.80E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124652
PNG
(CHEMBL3622905)
Show SMILES Cc1c(Cl)nc(nc1Cl)C1CC1
Show InChI InChI=1S/C8H8Cl2N2/c1-4-6(9)11-8(5-2-3-5)12-7(4)10/h5H,2-3H2,1H3
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MCE
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Article
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8.70E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%