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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50045849   
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


(Rattus norvegicus (rat))
BDBM162879
PNG
(US11419874, Example 28 | US9056863, Example Ic1)
Show SMILES Cc1nc2ccncc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C15H10ClN5/c1-9-14-19-20-15(10-4-2-3-5-11(10)16)21(14)13-8-17-7-6-12(13)18-9/h2-8H,1H3
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n/an/a 480n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Inhibition of 6-His-tagged rat recombinant PDE10A expressed in Sf9 cells using [3H]cAMP incubated for 60 mins by scintillation proximity assay


ACS Med Chem Lett 6: 282-6 (2015)


Article DOI: 10.1021/ml500463t
BindingDB Entry DOI: 10.7270/Q2319XMJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))
BDBM50085599
PNG
(CHEMBL3427725 | US11419874, Example 29)
Show SMILES Cc1nc2ccncc2n2c(nnc12)-c1cc(COCC(F)(F)F)ccc1Cl
Show InChI InChI=1S/C18H13ClF3N5O/c1-10-16-25-26-17(27(16)15-7-23-5-4-14(15)24-10)12-6-11(2-3-13(12)19)8-28-9-18(20,21)22/h2-7H,8-9H2,1H3
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n/an/a 2.45E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Inhibition of 6-His-tagged rat recombinant PDE10A expressed in Sf9 cells using [3H]cAMP incubated for 60 mins by scintillation proximity assay


ACS Med Chem Lett 6: 282-6 (2015)


Article DOI: 10.1021/ml500463t
BindingDB Entry DOI: 10.7270/Q2319XMJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))
BDBM50085595
PNG
(CHEMBL3425539 | US11419874, Example 30)
Show SMILES CCCCOc1cncc(c1)-c1nnc2c(C)nc3ccncc3n12
Show InChI InChI=1S/C18H18N6O/c1-3-4-7-25-14-8-13(9-20-10-14)18-23-22-17-12(2)21-15-5-6-19-11-16(15)24(17)18/h5-6,8-11H,3-4,7H2,1-2H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Inhibition of 6-His-tagged rat recombinant PDE10A expressed in Sf9 cells using [3H]cAMP incubated for 60 mins by scintillation proximity assay


ACS Med Chem Lett 6: 282-6 (2015)


Article DOI: 10.1021/ml500463t
BindingDB Entry DOI: 10.7270/Q2319XMJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))
BDBM50085600
PNG
(CHEMBL3427724)
Show SMILES CCCOCc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccncc3n12
Show InChI InChI=1S/C19H18ClN5O/c1-3-8-26-11-13-4-5-15(20)14(9-13)19-24-23-18-12(2)22-16-6-7-21-10-17(16)25(18)19/h4-7,9-10H,3,8,11H2,1-2H3
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n/an/a 3.89E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Inhibition of 6-His-tagged rat recombinant PDE10A expressed in Sf9 cells using [3H]cAMP incubated for 60 mins by scintillation proximity assay


ACS Med Chem Lett 6: 282-6 (2015)


Article DOI: 10.1021/ml500463t
BindingDB Entry DOI: 10.7270/Q2319XMJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))
BDBM50085602
PNG
(CHEMBL3427722)
Show SMILES CCCCOc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccncc3n12
Show InChI InChI=1S/C19H18ClN5O/c1-3-4-9-26-13-5-6-15(20)14(10-13)19-24-23-18-12(2)22-16-7-8-21-11-17(16)25(18)19/h5-8,10-11H,3-4,9H2,1-2H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Inhibition of 6-His-tagged rat recombinant PDE10A expressed in Sf9 cells using [3H]cAMP incubated for 60 mins by scintillation proximity assay


ACS Med Chem Lett 6: 282-6 (2015)


Article DOI: 10.1021/ml500463t
BindingDB Entry DOI: 10.7270/Q2319XMJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))
BDBM50085598
PNG
(CHEMBL3425534)
Show SMILES CC(C)OCc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccncc3n12
Show InChI InChI=1S/C19H18ClN5O/c1-11(2)26-10-13-4-5-15(20)14(8-13)19-24-23-18-12(3)22-16-6-7-21-9-17(16)25(18)19/h4-9,11H,10H2,1-3H3
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n/an/a 6.03E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Inhibition of 6-His-tagged rat recombinant PDE10A expressed in Sf9 cells using [3H]cAMP incubated for 60 mins by scintillation proximity assay


ACS Med Chem Lett 6: 282-6 (2015)


Article DOI: 10.1021/ml500463t
BindingDB Entry DOI: 10.7270/Q2319XMJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))
BDBM50085596
PNG
(CHEMBL3425536)
Show SMILES Cc1nc2ccncc2n2c(nnc12)-c1cc(OC(F)(F)F)ccc1Cl
Show InChI InChI=1S/C16H9ClF3N5O/c1-8-14-23-24-15(25(14)13-7-21-5-4-12(13)22-8)10-6-9(2-3-11(10)17)26-16(18,19)20/h2-7H,1H3
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n/an/a 8.91E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Inhibition of 6-His-tagged rat recombinant PDE10A expressed in Sf9 cells using [3H]cAMP incubated for 60 mins by scintillation proximity assay


ACS Med Chem Lett 6: 282-6 (2015)


Article DOI: 10.1021/ml500463t
BindingDB Entry DOI: 10.7270/Q2319XMJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))
BDBM50085601
PNG
(CHEMBL3427723)
Show SMILES COCCOc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccncc3n12
Show InChI InChI=1S/C18H16ClN5O2/c1-11-17-22-23-18(24(17)16-10-20-6-5-15(16)21-11)13-9-12(3-4-14(13)19)26-8-7-25-2/h3-6,9-10H,7-8H2,1-2H3
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n/an/a 9.12E+3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Inhibition of 6-His-tagged rat recombinant PDE10A expressed in Sf9 cells using [3H]cAMP incubated for 60 mins by scintillation proximity assay


ACS Med Chem Lett 6: 282-6 (2015)


Article DOI: 10.1021/ml500463t
BindingDB Entry DOI: 10.7270/Q2319XMJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))
BDBM50085597
PNG
(CHEMBL3425535)
Show SMILES Cc1nc2ccncc2n2c(nnc12)-c1cc(ccc1Cl)N1CCOCC1
Show InChI InChI=1S/C19H17ClN6O/c1-12-18-23-24-19(26(18)17-11-21-5-4-16(17)22-12)14-10-13(2-3-15(14)20)25-6-8-27-9-7-25/h2-5,10-11H,6-9H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Inhibition of 6-His-tagged rat recombinant PDE10A expressed in Sf9 cells using [3H]cAMP incubated for 60 mins by scintillation proximity assay


ACS Med Chem Lett 6: 282-6 (2015)


Article DOI: 10.1021/ml500463t
BindingDB Entry DOI: 10.7270/Q2319XMJ
More data for this
Ligand-Target Pair