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PubMed code 21777010

Compile data set for download or QSAR
Found 26 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM31592
PNG
(PF-2545920 | US9138494, MP-10 | substituted pyraz...)
Show SMILES Cn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1
Show InChI InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3
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n/an/a 0.501n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50419436
PNG
(CHEMBL1915747 | US9138494, JNJ-41510417)
Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1
Show InChI InChI=1S/C26H21FN4O/c27-13-16-31-17-24(19-11-14-28-15-12-19)26(30-31)21-6-9-23(10-7-21)32-18-22-8-5-20-3-1-2-4-25(20)29-22/h1-12,14-15,17H,13,16,18H2
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n/an/a 0.501n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50357701
PNG
(CHEMBL1915725 | US9138494, Janssen B-3)
Show SMILES Cc1cnc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)c(C)c1
Show InChI InChI=1S/C24H23FN4O/c1-17-13-18(2)23(27-14-17)16-30-21-5-3-20(4-6-21)24-22(15-29(28-24)12-9-25)19-7-10-26-11-8-19/h3-8,10-11,13-15H,9,12,16H2,1-2H3
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n/an/a 1.58n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50419439
PNG
(CHEMBL1915727)
Show SMILES Cc1cccc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)n1
Show InChI InChI=1S/C23H21FN4O/c1-17-3-2-4-20(26-17)16-29-21-7-5-19(6-8-21)23-22(15-28(27-23)14-11-24)18-9-12-25-13-10-18/h2-10,12-13,15H,11,14,16H2,1H3
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n/an/a 2.51n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50419437
PNG
(CHEMBL1915742)
Show SMILES COc1cccc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)n1
Show InChI InChI=1S/C23H21FN4O2/c1-29-22-4-2-3-19(26-22)16-30-20-7-5-18(6-8-20)23-21(15-28(27-23)14-11-24)17-9-12-25-13-10-17/h2-10,12-13,15H,11,14,16H2,1H3
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n/an/a 3.16n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50357702
PNG
(CHEMBL1915726)
Show SMILES COc1ccc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)nc1
Show InChI InChI=1S/C23H21FN4O2/c1-29-21-7-4-19(26-14-21)16-30-20-5-2-18(3-6-20)23-22(15-28(27-23)13-10-24)17-8-11-25-12-9-17/h2-9,11-12,14-15H,10,13,16H2,1H3
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n/an/a 3.16n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50419442
PNG
(CHEMBL1915746)
Show SMILES Cc1cnc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)c(C)c1C
Show InChI InChI=1S/C25H25FN4O/c1-17-14-28-24(19(3)18(17)2)16-31-22-6-4-21(5-7-22)25-23(15-30(29-25)13-10-26)20-8-11-27-12-9-20/h4-9,11-12,14-15H,10,13,16H2,1-3H3
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n/an/a 3.98n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50419428
PNG
(CHEMBL1915736)
Show SMILES COc1cccnc1COc1ccc(cc1)-c1nn(CCF)cc1-c1ccncc1
Show InChI InChI=1S/C23H21FN4O2/c1-29-22-3-2-11-26-21(22)16-30-19-6-4-18(5-7-19)23-20(15-28(27-23)14-10-24)17-8-12-25-13-9-17/h2-9,11-13,15H,10,14,16H2,1H3
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n/an/a 3.98n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50419426
PNG
(CHEMBL1915733)
Show SMILES COc1cccnc1COc1ccc(cc1)-c1nn(CC(F)(F)F)cc1-c1ccncc1
Show InChI InChI=1S/C23H19F3N4O2/c1-31-21-3-2-10-28-20(21)14-32-18-6-4-17(5-7-18)22-19(16-8-11-27-12-9-16)13-30(29-22)15-23(24,25)26/h2-13H,14-15H2,1H3
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n/an/a 5.01n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50419423
PNG
(CHEMBL1915729)
Show SMILES COc1ccc(COc2ccc(cc2)-c2nn(CC(F)(F)F)cc2-c2ccncc2)nc1
Show InChI InChI=1S/C23H19F3N4O2/c1-31-20-7-4-18(28-12-20)14-32-19-5-2-17(3-6-19)22-21(16-8-10-27-11-9-16)13-30(29-22)15-23(24,25)26/h2-13H,14-15H2,1H3
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n/an/a 5.01n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50419424
PNG
(CHEMBL1915730)
Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2cccc(Br)n2)cc1)-c1ccncc1
Show InChI InChI=1S/C22H18BrFN4O/c23-21-3-1-2-18(26-21)15-29-19-6-4-17(5-7-19)22-20(14-28(27-22)13-10-24)16-8-11-25-12-9-16/h1-9,11-12,14H,10,13,15H2
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n/an/a 10n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50419430
PNG
(CHEMBL1915738)
Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2ccc(Br)cn2)cc1)-c1ccncc1
Show InChI InChI=1S/C22H18BrFN4O/c23-18-3-4-19(26-13-18)15-29-20-5-1-17(2-6-20)22-21(14-28(27-22)12-9-24)16-7-10-25-11-8-16/h1-8,10-11,13-14H,9,12,15H2
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n/an/a 10n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50419440
PNG
(CHEMBL1915734)
Show SMILES COc1cccnc1COc1ccc(cc1)-c1nn(CCCF)cc1-c1ccncc1
Show InChI InChI=1S/C24H23FN4O2/c1-30-23-4-2-12-27-22(23)17-31-20-7-5-19(6-8-20)24-21(18-9-13-26-14-10-18)16-29(28-24)15-3-11-25/h2,4-10,12-14,16H,3,11,15,17H2,1H3
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n/an/a 12.6n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50419429
PNG
(CHEMBL1915737)
Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2ncccc2F)cc1)-c1ccncc1
Show InChI InChI=1S/C22H18F2N4O/c23-9-13-28-14-19(16-7-11-25-12-8-16)22(27-28)17-3-5-18(6-4-17)29-15-21-20(24)2-1-10-26-21/h1-8,10-12,14H,9,13,15H2
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n/an/a 15.8n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50419427
PNG
(CHEMBL1915735)
Show SMILES COc1ccc(COc2ccc(cc2)-c2nn(CCCF)cc2-c2ccncc2)nc1
Show InChI InChI=1S/C24H23FN4O2/c1-30-22-8-5-20(27-15-22)17-31-21-6-3-19(4-7-21)24-23(18-9-12-26-13-10-18)16-29(28-24)14-2-11-25/h3-10,12-13,15-16H,2,11,14,17H2,1H3
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n/an/a 15.8n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50419422
PNG
(CHEMBL1915728)
Show SMILES Cc1cccc(COc2ccc(cc2)-c2nn(CCCF)cc2-c2ccncc2)n1
Show InChI InChI=1S/C24H23FN4O/c1-18-4-2-5-21(27-18)17-30-22-8-6-20(7-9-22)24-23(19-10-13-26-14-11-19)16-29(28-24)15-3-12-25/h2,4-11,13-14,16H,3,12,15,17H2,1H3
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n/an/a 19.9n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50419433
PNG
(CHEMBL1915743)
Show SMILES CCOc1cccc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)n1
Show InChI InChI=1S/C24H23FN4O2/c1-2-30-23-5-3-4-20(27-23)17-31-21-8-6-19(7-9-21)24-22(16-29(28-24)15-12-25)18-10-13-26-14-11-18/h3-11,13-14,16H,2,12,15,17H2,1H3
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n/an/a 19.9n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50419435
PNG
(CHEMBL1915745)
Show SMILES COc1ccc(Br)c(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)n1
Show InChI InChI=1S/C23H20BrFN4O2/c1-30-22-7-6-20(24)21(27-22)15-31-18-4-2-17(3-5-18)23-19(14-29(28-23)13-10-25)16-8-11-26-12-9-16/h2-9,11-12,14H,10,13,15H2,1H3
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n/an/a 31.6n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50419438
PNG
(CHEMBL1915732)
Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2cccc(n2)C2CC2)cc1)-c1ccncc1
Show InChI InChI=1S/C25H23FN4O/c26-12-15-30-16-23(18-10-13-27-14-11-18)25(29-30)20-6-8-22(9-7-20)31-17-21-2-1-3-24(28-21)19-4-5-19/h1-3,6-11,13-14,16,19H,4-5,12,15,17H2
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n/an/a 31.6n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50419432
PNG
(CHEMBL1915741)
Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2ccc(cn2)C2CC2)cc1)-c1ccncc1
Show InChI InChI=1S/C25H23FN4O/c26-11-14-30-16-24(19-9-12-27-13-10-19)25(29-30)20-4-7-23(8-5-20)31-17-22-6-3-21(15-28-22)18-1-2-18/h3-10,12-13,15-16,18H,1-2,11,14,17H2
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n/an/a 31.6n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50419434
PNG
(CHEMBL1915744)
Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2cccc(n2)C#N)cc1)-c1ccncc1
Show InChI InChI=1S/C23H18FN5O/c24-10-13-29-15-22(17-8-11-26-12-9-17)23(28-29)18-4-6-21(7-5-18)30-16-20-3-1-2-19(14-25)27-20/h1-9,11-12,15H,10,13,16H2
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n/an/a 31.6n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50419431
PNG
(CHEMBL1915739)
Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2ccc(cn2)C#N)cc1)-c1ccncc1
Show InChI InChI=1S/C23H18FN5O/c24-9-12-29-15-22(18-7-10-26-11-8-18)23(28-29)19-2-5-21(6-3-19)30-16-20-4-1-17(13-25)14-27-20/h1-8,10-11,14-15H,9,12,16H2
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n/an/a 79.4n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50419441
PNG
(CHEMBL1915740)
Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2ccc(cn2)C(F)(F)F)cc1)-c1ccncc1
Show InChI InChI=1S/C23H18F4N4O/c24-9-12-31-14-21(16-7-10-28-11-8-16)22(30-31)17-1-5-20(6-2-17)32-15-19-4-3-18(13-29-19)23(25,26)27/h1-8,10-11,13-14H,9,12,15H2
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n/an/a 100n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50419425
PNG
(CHEMBL1915731)
Show SMILES FCCn1cc(c(n1)-c1ccc(OCc2cccc(n2)C(F)(F)F)cc1)-c1ccncc1
Show InChI InChI=1S/C23H18F4N4O/c24-10-13-31-14-20(16-8-11-28-12-9-16)22(30-31)17-4-6-19(7-5-17)32-15-18-2-1-3-21(29-18)23(25,26)27/h1-9,11-12,14H,10,13,15H2
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n/an/a 100n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation co...


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50357702
PNG
(CHEMBL1915726)
Show SMILES COc1ccc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)nc1
Show InChI InChI=1S/C23H21FN4O2/c1-29-21-7-4-19(26-14-21)16-30-20-5-2-18(3-6-20)23-22(15-28(27-23)13-10-24)17-8-11-25-12-9-17/h2-9,11-12,14-15H,10,13,16H2,1H3
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n/an/a 870n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50357701
PNG
(CHEMBL1915725 | US9138494, Janssen B-3)
Show SMILES Cc1cnc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)c(C)c1
Show InChI InChI=1S/C24H23FN4O/c1-17-13-18(2)23(27-14-17)16-30-21-5-3-20(4-6-21)24-22(15-29(28-24)12-9-25)19-7-10-26-11-8-19/h3-8,10-11,13-15H,9,12,16H2,1-2H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


J Med Chem 54: 5820-35 (2011)


Article DOI: 10.1021/jm200536d
BindingDB Entry DOI: 10.7270/Q2NV9JNP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%