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Compile Data Set for Download or QSAR

Found 1068 hits with Last Name = 'höfgen' and Initial = 'n'   
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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171943
PNG
(US9085584, 113)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1Cl)C1(O)CCCOC1)C1CC1
Show InChI InChI=1S/C23H22ClN5O2/c1-13-20-27-28-21(29(20)22-19(25-13)8-7-18(26-22)14-3-4-14)16-11-15(5-6-17(16)24)23(30)9-2-10-31-12-23/h5-8,11,14,30H,2-4,9-10,12H2,1H3
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n/an/a 0.200n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM396904
PNG
(US9981950, Example 113B)
Show SMILES Nc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
Show InChI InChI=1S/C13H11F3N6/c14-11-2-1-9(5-10(11)12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18)
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n/an/a 0.480n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
TBD

Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM396904
PNG
(US9981950, Example 113B)
Show SMILES Nc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
Show InChI InChI=1S/C13H11F3N6/c14-11-2-1-9(5-10(11)12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18)
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n/an/a 0.480n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Cells were split 2-3 times weekly between 1:3 and 1:4. For binding assays and membrane preparations the cell culture medium was removed, cells were w...

Bioorg Med Chem Lett 19: 451-8 (2009)


BindingDB Entry DOI: 10.7270/Q2TH8Q1D
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))		BDBM396904
PNG
(US9981950, Example 113B)
Show SMILES Nc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
Show InChI InChI=1S/C13H11F3N6/c14-11-2-1-9(5-10(11)12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18)
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n/an/a 0.480n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...

Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))		BDBM398608
PNG
(US10323021, Example 114)
Show SMILES CC(F)(F)c1cc(ccc1Cl)-n1cc(Cn2ccnc2N)nn1
Show InChI InChI=1S/C14H13ClF2N6/c1-14(16,17)11-6-10(2-3-12(11)15)23-8-9(20-21-23)7-22-5-4-19-13(22)18/h2-6,8H,7H2,1H3,(H2,18,19)
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n/an/a 0.510n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...

Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM396905
PNG
(US9981950, Example 114)
Show SMILES CC(F)(F)c1cc(ccc1F)-n1cc(Cn2ccnc2N)nn1
Show InChI InChI=1S/C14H13F3N6/c1-14(16,17)11-6-10(2-3-12(11)15)23-8-9(20-21-23)7-22-5-4-19-13(22)18/h2-6,8H,7H2,1H3,(H2,18,19)
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n/an/a 0.510n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Cells were split 2-3 times weekly between 1:3 and 1:4. For binding assays and membrane preparations the cell culture medium was removed, cells were w...

Bioorg Med Chem Lett 19: 451-8 (2009)


BindingDB Entry DOI: 10.7270/Q2TH8Q1D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM398608
PNG
(US10323021, Example 114)
Show SMILES CC(F)(F)c1cc(ccc1Cl)-n1cc(Cn2ccnc2N)nn1
Show InChI InChI=1S/C14H13ClF2N6/c1-14(16,17)11-6-10(2-3-12(11)15)23-8-9(20-21-23)7-22-5-4-19-13(22)18/h2-6,8H,7H2,1H3,(H2,18,19)
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n/an/a 0.510n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
TBD

Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))		BDBM396901
PNG
(US9981950, Example 110)
Show SMILES Nc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C13H11ClF2N6O/c14-10-2-1-9(5-11(10)23-12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18)
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n/an/a 0.520n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...

Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM396901
PNG
(US9981950, Example 110)
Show SMILES Nc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C13H11ClF2N6O/c14-10-2-1-9(5-11(10)23-12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18)
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n/an/a 0.520n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Cells were split 2-3 times weekly between 1:3 and 1:4. For binding assays and membrane preparations the cell culture medium was removed, cells were w...

Bioorg Med Chem Lett 19: 451-8 (2009)


BindingDB Entry DOI: 10.7270/Q2TH8Q1D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM396901
PNG
(US9981950, Example 110)
Show SMILES Nc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C13H11ClF2N6O/c14-10-2-1-9(5-11(10)23-12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18)
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n/an/a 0.520n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
TBD

Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM396903
PNG
(US9981950, Example 113A)
Show SMILES Nc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
Show InChI InChI=1S/C13H11ClF2N6/c14-11-2-1-9(5-10(11)12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18)
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n/an/a 0.650n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
TBD

Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))		BDBM396903
PNG
(US9981950, Example 113A)
Show SMILES Nc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
Show InChI InChI=1S/C13H11ClF2N6/c14-11-2-1-9(5-10(11)12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18)
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n/an/a 0.650n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...

Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM396903
PNG
(US9981950, Example 113A)
Show SMILES Nc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
Show InChI InChI=1S/C13H11ClF2N6/c14-11-2-1-9(5-10(11)12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18)
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n/an/a 0.650n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Cells were split 2-3 times weekly between 1:3 and 1:4. For binding assays and membrane preparations the cell culture medium was removed, cells were w...

Bioorg Med Chem Lett 19: 451-8 (2009)


BindingDB Entry DOI: 10.7270/Q2TH8Q1D
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171910
PNG
(US9085584, 69)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(CCC(C)(C)O)ccc1Cl)C1CC1
Show InChI InChI=1S/C23H24ClN5O/c1-13-20-27-28-21(16-12-14(4-7-17(16)24)10-11-23(2,3)30)29(20)22-19(25-13)9-8-18(26-22)15-5-6-15/h4,7-9,12,15,30H,5-6,10-11H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171935
PNG
(US9085584, 94)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1Cl)C1(O)CCOCC1)C1CC1
Show InChI InChI=1S/C23H22ClN5O2/c1-13-20-27-28-21(29(20)22-19(25-13)7-6-18(26-22)14-2-3-14)16-12-15(4-5-17(16)24)23(30)8-10-31-11-9-23/h4-7,12,14,30H,2-3,8-11H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171929
PNG
(US9085584, 88)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1Cl)C1(O)CCC1)C1CC1
Show InChI InChI=1S/C22H20ClN5O/c1-12-19-26-27-20(15-11-14(5-6-16(15)23)22(29)9-2-10-22)28(19)21-18(24-12)8-7-17(25-21)13-3-4-13/h5-8,11,13,29H,2-4,9-10H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171839
PNG
(US9085584, 9)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(O)ccc1Cl)C1CC1
Show InChI InChI=1S/C18H14ClN5O/c1-9-16-22-23-17(12-8-11(25)4-5-13(12)19)24(16)18-15(20-9)7-6-14(21-18)10-2-3-10/h4-8,10,25H,2-3H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171890
PNG
(US9085584, 56 | US9085584, 56a | US9085584, 56b | ...)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(OC2COCC2O)ccc1Cl)C1CC1
Show InChI InChI=1S/C22H20ClN5O3/c1-11-20-26-27-21(28(20)22-17(24-11)7-6-16(25-22)12-2-3-12)14-8-13(4-5-15(14)23)31-19-10-30-9-18(19)29/h4-8,12,18-19,29H,2-3,9-10H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171932
PNG
(US9085584, 91)
Show SMILES CC(C)c1ccc2nc(C)c3nnc(-c4cc(ccc4Cl)C4(O)CCC4)n3c2n1
Show InChI InChI=1S/C22H22ClN5O/c1-12(2)17-7-8-18-21(25-17)28-19(13(3)24-18)26-27-20(28)15-11-14(5-6-16(15)23)22(29)9-4-10-22/h5-8,11-12,29H,4,9-10H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM396886
PNG
(US9981950, Example 93)
Show SMILES Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C14H12ClF2N5O/c1-9-18-4-5-21(9)7-10-8-22(20-19-10)11-2-3-12(15)13(6-11)23-14(16)17/h2-6,8,14H,7H2,1H3
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Anadys Pharmaceuticals



Assay Description
Cells were split 2-3 times weekly between 1:3 and 1:4. For binding assays and membrane preparations the cell culture medium was removed, cells were w...

Bioorg Med Chem Lett 19: 451-8 (2009)


BindingDB Entry DOI: 10.7270/Q2TH8Q1D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM396887
PNG
(US9981950, Example 94)
Show SMILES FC(F)Oc1cc(ccc1Cl)-n1cc(Cn2ccnc2C2CC2)nn1
Show InChI InChI=1S/C16H14ClF2N5O/c17-13-4-3-12(7-14(13)25-16(18)19)24-9-11(21-22-24)8-23-6-5-20-15(23)10-1-2-10/h3-7,9-10,16H,1-2,8H2
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Bristol-Myers Squibb Company



Assay Description
TBD

Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		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 1.30n/an/an/an/an/an/a



Biotie Therapies GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A expressed in baculovirus-SF21 cell system assessed as hydrolysis of [3H]cAMP after 1 hr by liquid scintillatio...

J Med Chem 53: 4399-411 (2010)


Article DOI: 10.1021/jm1002793
BindingDB Entry DOI: 10.7270/Q2MK6D3N
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50319169
PNG
(3,4-Dimethoxy-1-isobutyl-8-methoxy-imidazo[1,5-a]p...)
Show SMILES COc1ccc2nc(C)c3c(C)nc(CC(C)C)n3c2n1
Show InChI InChI=1S/C16H20N4O/c1-9(2)8-13-18-11(4)15-10(3)17-12-6-7-14(21-5)19-16(12)20(13)15/h6-7,9H,8H2,1-5H3
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n/an/a 1.40n/an/an/an/an/an/a



Biotie Therapies GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A expressed in baculovirus-SF21 cell system assessed as hydrolysis of [3H]cAMP after 1 hr by liquid scintillatio...

J Med Chem 53: 4399-411 (2010)


Article DOI: 10.1021/jm1002793
BindingDB Entry DOI: 10.7270/Q2MK6D3N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM396889
PNG
(US9981950, Example 96)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C15H14ClF2N5O/c1-2-14-19-5-6-22(14)8-10-9-23(21-20-10)11-3-4-12(16)13(7-11)24-15(17)18/h3-7,9,15H,2,8H2,1H3
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n/an/a 1.60n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Cells were split 2-3 times weekly between 1:3 and 1:4. For binding assays and membrane preparations the cell culture medium was removed, cells were w...

Bioorg Med Chem Lett 19: 451-8 (2009)


BindingDB Entry DOI: 10.7270/Q2TH8Q1D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM396889
PNG
(US9981950, Example 96)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C15H14ClF2N5O/c1-2-14-19-5-6-22(14)8-10-9-23(21-20-10)11-3-4-12(16)13(7-11)24-15(17)18/h3-7,9,15H,2,8H2,1H3
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n/an/a 1.60n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
TBD

Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))		BDBM396889
PNG
(US9981950, Example 96)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C15H14ClF2N5O/c1-2-14-19-5-6-22(14)8-10-9-23(21-20-10)11-3-4-12(16)13(7-11)24-15(17)18/h3-7,9,15H,2,8H2,1H3
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n/an/a 1.60n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...

Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM396848
PNG
(US9981950, Example 55)
Show SMILES Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C14H14ClN5/c1-10-7-13(3-4-14(10)15)20-9-12(17-18-20)8-19-6-5-16-11(19)2/h3-7,9H,8H2,1-2H3
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n/an/a 1.64n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
TBD

Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM396848
PNG
(US9981950, Example 55)
Show SMILES Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C14H14ClN5/c1-10-7-13(3-4-14(10)15)20-9-12(17-18-20)8-19-6-5-16-11(19)2/h3-7,9H,8H2,1-2H3
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n/an/a 1.64n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Cells were split 2-3 times weekly between 1:3 and 1:4. For binding assays and membrane preparations the cell culture medium was removed, cells were w...

Bioorg Med Chem Lett 19: 451-8 (2009)


BindingDB Entry DOI: 10.7270/Q2TH8Q1D
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))		BDBM396848
PNG
(US9981950, Example 55)
Show SMILES Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C14H14ClN5/c1-10-7-13(3-4-14(10)15)20-9-12(17-18-20)8-19-6-5-16-11(19)2/h3-7,9H,8H2,1-2H3
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n/an/a 1.64n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...

Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))		BDBM396863
PNG
(US9981950, Example 70)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C15H16ClN5/c1-3-15-17-6-7-20(15)9-12-10-21(19-18-12)13-4-5-14(16)11(2)8-13/h4-8,10H,3,9H2,1-2H3
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n/an/a 1.84n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...

Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM396863
PNG
(US9981950, Example 70)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C15H16ClN5/c1-3-15-17-6-7-20(15)9-12-10-21(19-18-12)13-4-5-14(16)11(2)8-13/h4-8,10H,3,9H2,1-2H3
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n/an/a 1.84n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Cells were split 2-3 times weekly between 1:3 and 1:4. For binding assays and membrane preparations the cell culture medium was removed, cells were w...

Bioorg Med Chem Lett 19: 451-8 (2009)


BindingDB Entry DOI: 10.7270/Q2TH8Q1D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM396863
PNG
(US9981950, Example 70)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C15H16ClN5/c1-3-15-17-6-7-20(15)9-12-10-21(19-18-12)13-4-5-14(16)11(2)8-13/h4-8,10H,3,9H2,1-2H3
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n/an/a 1.84n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
TBD

Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))		BDBM396893
PNG
(US9981950, Example 100)
Show SMILES Cc1nccn1Cc1cn(nn1)-c1ccc(F)c(OC(F)F)c1
Show InChI InChI=1S/C14H12F3N5O/c1-9-18-4-5-21(9)7-10-8-22(20-19-10)11-2-3-12(15)13(6-11)23-14(16)17/h2-6,8,14H,7H2,1H3
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n/an/a 1.90n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...

Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM396893
PNG
(US9981950, Example 100)
Show SMILES Cc1nccn1Cc1cn(nn1)-c1ccc(F)c(OC(F)F)c1
Show InChI InChI=1S/C14H12F3N5O/c1-9-18-4-5-21(9)7-10-8-22(20-19-10)11-2-3-12(15)13(6-11)23-14(16)17/h2-6,8,14H,7H2,1H3
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n/an/a 1.90n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
TBD

Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM396893
PNG
(US9981950, Example 100)
Show SMILES Cc1nccn1Cc1cn(nn1)-c1ccc(F)c(OC(F)F)c1
Show InChI InChI=1S/C14H12F3N5O/c1-9-18-4-5-21(9)7-10-8-22(20-19-10)11-2-3-12(15)13(6-11)23-14(16)17/h2-6,8,14H,7H2,1H3
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n/an/a 1.90n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Cells were split 2-3 times weekly between 1:3 and 1:4. For binding assays and membrane preparations the cell culture medium was removed, cells were w...

Bioorg Med Chem Lett 19: 451-8 (2009)


BindingDB Entry DOI: 10.7270/Q2TH8Q1D
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171838
PNG
(US9085584, 8)
Show SMILES CC(C)c1ccc2nc(C)c3nnc(-c4cc(O)ccc4F)n3c2n1
Show InChI InChI=1S/C18H16FN5O/c1-9(2)14-6-7-15-18(21-14)24-16(10(3)20-15)22-23-17(24)12-8-11(25)4-5-13(12)19/h4-9,25H,1-3H3
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171890
PNG
(US9085584, 56 | US9085584, 56a | US9085584, 56b | ...)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(OC2COCC2O)ccc1Cl)C1CC1
Show InChI InChI=1S/C22H20ClN5O3/c1-11-20-26-27-21(28(20)22-17(24-11)7-6-16(25-22)12-2-3-12)14-8-13(4-5-15(14)23)31-19-10-30-9-18(19)29/h4-8,12,18-19,29H,2-3,9-10H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171909
PNG
(US9085584, 68)
Show SMILES Cc1ccc(CCC(C)(C)O)cc1-c1nnc2c(C)nc3ccc(nc3n12)C1CC1
Show InChI InChI=1S/C24H27N5O/c1-14-5-6-16(11-12-24(3,4)30)13-18(14)22-28-27-21-15(2)25-20-10-9-19(17-7-8-17)26-23(20)29(21)22/h5-6,9-10,13,17,30H,7-8,11-12H2,1-4H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171933
PNG
(US9085584, 92)
Show SMILES CC(C)c1ccc2nc(C)c3nnc(-c4cc(ccc4F)C4(O)CCC4)n3c2n1
Show InChI InChI=1S/C22H22FN5O/c1-12(2)17-7-8-18-21(25-17)28-19(13(3)24-18)26-27-20(28)15-11-14(5-6-16(15)23)22(29)9-4-10-22/h5-8,11-12,29H,4,9-10H2,1-3H3
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))		BDBM396902
PNG
(US9981950, Example 111)
Show SMILES Nc1nccn1Cc1cn(nn1)-c1cc(F)cc(c1)C(F)F
Show InChI InChI=1S/C13H11F3N6/c14-9-3-8(12(15)16)4-11(5-9)22-7-10(19-20-22)6-21-2-1-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18)
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n/an/a 2.13n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...

Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM396902
PNG
(US9981950, Example 111)
Show SMILES Nc1nccn1Cc1cn(nn1)-c1cc(F)cc(c1)C(F)F
Show InChI InChI=1S/C13H11F3N6/c14-9-3-8(12(15)16)4-11(5-9)22-7-10(19-20-22)6-21-2-1-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18)
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Bristol-Myers Squibb Company



Assay Description
TBD

Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM396902
PNG
(US9981950, Example 111)
Show SMILES Nc1nccn1Cc1cn(nn1)-c1cc(F)cc(c1)C(F)F
Show InChI InChI=1S/C13H11F3N6/c14-9-3-8(12(15)16)4-11(5-9)22-7-10(19-20-22)6-21-2-1-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18)
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Anadys Pharmaceuticals



Assay Description
Cells were split 2-3 times weekly between 1:3 and 1:4. For binding assays and membrane preparations the cell culture medium was removed, cells were w...

Bioorg Med Chem Lett 19: 451-8 (2009)


BindingDB Entry DOI: 10.7270/Q2TH8Q1D
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))		BDBM396891
PNG
(US9981950, Example 98)
Show SMILES OCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C15H14ClF2N5O2/c16-12-2-1-11(7-13(12)25-15(17)18)23-9-10(20-21-23)8-22-5-4-19-14(22)3-6-24/h1-2,4-5,7,9,15,24H,3,6,8H2
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n/an/a 2.26n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...

Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM396891
PNG
(US9981950, Example 98)
Show SMILES OCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C15H14ClF2N5O2/c16-12-2-1-11(7-13(12)25-15(17)18)23-9-10(20-21-23)8-22-5-4-19-14(22)3-6-24/h1-2,4-5,7,9,15,24H,3,6,8H2
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n/an/a 2.26n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
TBD

Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM396891
PNG
(US9981950, Example 98)
Show SMILES OCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C15H14ClF2N5O2/c16-12-2-1-11(7-13(12)25-15(17)18)23-9-10(20-21-23)8-22-5-4-19-14(22)3-6-24/h1-2,4-5,7,9,15,24H,3,6,8H2
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n/an/a 2.26n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Cells were split 2-3 times weekly between 1:3 and 1:4. For binding assays and membrane preparations the cell culture medium was removed, cells were w...

Bioorg Med Chem Lett 19: 451-8 (2009)


BindingDB Entry DOI: 10.7270/Q2TH8Q1D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM396884
PNG
(US9981950, Example 91)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
Show InChI InChI=1S/C15H14ClF2N5/c1-2-14-19-5-6-22(14)8-10-9-23(21-20-10)11-3-4-13(16)12(7-11)15(17)18/h3-7,9,15H,2,8H2,1H3
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n/an/a 2.43n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Cells were split 2-3 times weekly between 1:3 and 1:4. For binding assays and membrane preparations the cell culture medium was removed, cells were w...

Bioorg Med Chem Lett 19: 451-8 (2009)


BindingDB Entry DOI: 10.7270/Q2TH8Q1D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM396884
PNG
(US9981950, Example 91)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
Show InChI InChI=1S/C15H14ClF2N5/c1-2-14-19-5-6-22(14)8-10-9-23(21-20-10)11-3-4-13(16)12(7-11)15(17)18/h3-7,9,15H,2,8H2,1H3
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n/an/a 2.43n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
TBD

Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))		BDBM396884
PNG
(US9981950, Example 91)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
Show InChI InChI=1S/C15H14ClF2N5/c1-2-14-19-5-6-22(14)8-10-9-23(21-20-10)11-3-4-13(16)12(7-11)15(17)18/h3-7,9,15H,2,8H2,1H3
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n/an/a 2.43n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...

Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50319168
PNG
(1-Cyclohexyl-3,4-dimethyl-8-methoxy-imidazo[1,5-a]...)
Show SMILES COc1ccc2nc(C)c3c(C)nc(C4CCCCC4)n3c2n1
Show InChI InChI=1S/C18H22N4O/c1-11-16-12(2)20-17(13-7-5-4-6-8-13)22(16)18-14(19-11)9-10-15(21-18)23-3/h9-10,13H,4-8H2,1-3H3
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n/an/a 2.80n/an/an/an/an/an/a



Biotie Therapies GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A expressed in baculovirus-SF21 cell system assessed as hydrolysis of [3H]cAMP after 1 hr by liquid scintillatio...

J Med Chem 53: 4399-411 (2010)


Article DOI: 10.1021/jm1002793
BindingDB Entry DOI: 10.7270/Q2MK6D3N
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171868
PNG
(US9085584, 35a)
Show SMILES C[C@H](O)COc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(nc3n12)C1CC1 |r|
Show InChI InChI=1S/C21H20ClN5O2/c1-11(28)10-29-14-5-6-16(22)15(9-14)20-26-25-19-12(2)23-18-8-7-17(13-3-4-13)24-21(18)27(19)20/h5-9,11,13,28H,3-4,10H2,1-2H3/t11-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
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