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Compile Data Set for Download or QSAR

Found 317 hits with Last Name = 'fox' and Initial = 't'   
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
Thrombin


(Bos taurus (Bovine))
BDBM50037996
PNG
(1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...)
Show SMILES NC(=N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)/t24-/m1/s1
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6n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory Activity against bovine thrombin


J Med Chem 43: 3033-44 (2000)


BindingDB Entry DOI: 10.7270/Q20R9Q3N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin


(Bos taurus (Bovine))
BDBM50091037
PNG
(1-[5-(Diaminomethyl-amino)-2-(3-methyl-1,2,3,4-tet...)
Show SMILES C[C@@H]1CCN(C(C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12
Show InChI InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18?/m1/s1
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19n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory Activity against bovine alpha-thrombin


J Med Chem 43: 3033-44 (2000)


BindingDB Entry DOI: 10.7270/Q20R9Q3N
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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31n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory Activity against bovine trypsin


J Med Chem 43: 3033-44 (2000)


BindingDB Entry DOI: 10.7270/Q20R9Q3N
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50037981
PNG
(CHEMBL103102 | CHEMBL216318 | Piperidine-1-carboxa...)
Show SMILES NC(=N)N1CCCCC1
Show InChI InChI=1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8)
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150n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory Activity against human thrombin


J Med Chem 43: 3033-44 (2000)


BindingDB Entry DOI: 10.7270/Q20R9Q3N
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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300n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory Activity against human thrombin


J Med Chem 43: 3033-44 (2000)


BindingDB Entry DOI: 10.7270/Q20R9Q3N
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50037981
PNG
(CHEMBL103102 | CHEMBL216318 | Piperidine-1-carboxa...)
Show SMILES NC(=N)N1CCCCC1
Show InChI InChI=1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8)
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360n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory Activity against bovine trypsin


J Med Chem 43: 3033-44 (2000)


BindingDB Entry DOI: 10.7270/Q20R9Q3N
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50037996
PNG
(1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...)
Show SMILES NC(=N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)/t24-/m1/s1
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690n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory Activity against bovine beta-trypsin


J Med Chem 43: 3033-44 (2000)


BindingDB Entry DOI: 10.7270/Q20R9Q3N
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50091037
PNG
(1-[5-(Diaminomethyl-amino)-2-(3-methyl-1,2,3,4-tet...)
Show SMILES C[C@@H]1CCN(C(C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12
Show InChI InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18?/m1/s1
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5.00E+3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory Activity against Trypsin


J Med Chem 43: 3033-44 (2000)


BindingDB Entry DOI: 10.7270/Q20R9Q3N
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50037996
PNG
(1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...)
Show SMILES NC(=N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)/t24-/m1/s1
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7.90E+3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory Activity against bovine Coagulation factor X


J Med Chem 43: 3033-44 (2000)


BindingDB Entry DOI: 10.7270/Q20R9Q3N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50091037
PNG
(1-[5-(Diaminomethyl-amino)-2-(3-methyl-1,2,3,4-tet...)
Show SMILES C[C@@H]1CCN(C(C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12
Show InChI InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18?/m1/s1
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2.10E+5n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory Activity against Coagulation factor X


J Med Chem 43: 3033-44 (2000)


BindingDB Entry DOI: 10.7270/Q20R9Q3N
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111911
PNG
(US8623901, 239)
Show SMILES Cn1cc(cn1)-c1ccc(F)cc1Cc1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C21H21FN6O2/c1-27-12-14(10-23-27)17-3-2-15(22)8-13(17)9-19-25-20-18(21(29)26-19)11-24-28(20)16-4-6-30-7-5-16/h2-3,8,10-12,16H,4-7,9H2,1H3,(H,25,26,29)
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n/an/a 2n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50084676
PNG
((2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PEN...)
Show SMILES NC(=N)c1cccc(c1)-c1cccc(c1)[C@H](CCCNc1ccncc1)C(O)=O
Show InChI InChI=1S/C23H24N4O2/c24-22(25)19-7-2-5-17(15-19)16-4-1-6-18(14-16)21(23(28)29)8-3-11-27-20-9-12-26-13-10-20/h1-2,4-7,9-10,12-15,21H,3,8,11H2,(H3,24,25)(H,26,27)(H,28,29)/t21-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor Xa


J Med Chem 43: 3033-44 (2000)


BindingDB Entry DOI: 10.7270/Q20R9Q3N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111910
PNG
(US8623901, 234)
Show SMILES Cc1nnc([nH]1)-c1ccccc1Cc1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C20H21N7O2/c1-12-22-18(26-25-12)15-5-3-2-4-13(15)10-17-23-19-16(20(28)24-17)11-21-27(19)14-6-8-29-9-7-14/h2-5,11,14H,6-10H2,1H3,(H,22,25,26)(H,23,24,28)
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n/an/a 3n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111932
PNG
(US8623901, 261)
Show SMILES COc1ccc(nc1)-c1ccccc1Cc1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C23H23N5O3/c1-30-17-6-7-20(24-13-17)18-5-3-2-4-15(18)12-21-26-22-19(23(29)27-21)14-25-28(22)16-8-10-31-11-9-16/h2-7,13-14,16H,8-12H2,1H3,(H,26,27,29)
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n/an/a 4n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111905
PNG
(US8623901, 230-2)
Show SMILES Cn1cc(cn1)-c1ccccc1Cc1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C21H22N6O2/c1-26-13-15(11-22-26)17-5-3-2-4-14(17)10-19-24-20-18(21(28)25-19)12-23-27(20)16-6-8-29-9-7-16/h2-5,11-13,16H,6-10H2,1H3,(H,24,25,28)
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n/an/a 5n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111904
PNG
(US8623901, 230-1)
Show SMILES O=c1[nH]c(Cc2ccccc2-c2cnc(nc2)N2CCOCC2)nc2n(ncc12)C1CCOCC1
Show InChI InChI=1S/C25H27N7O3/c33-24-21-16-28-32(19-5-9-34-10-6-19)23(21)29-22(30-24)13-17-3-1-2-4-20(17)18-14-26-25(27-15-18)31-7-11-35-12-8-31/h1-4,14-16,19H,5-13H2,(H,29,30,33)
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n/an/a 5n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111896
PNG
(US8623901, 223)
Show SMILES O=c1[nH]c(Cc2ccccc2-c2ccc(nc2)N2CCOCC2)nc2n(ncc12)C1CCOCC1
Show InChI InChI=1S/C26H28N6O3/c33-26-22-17-28-32(20-7-11-34-12-8-20)25(22)29-23(30-26)15-18-3-1-2-4-21(18)19-5-6-24(27-16-19)31-9-13-35-14-10-31/h1-6,16-17,20H,7-15H2,(H,29,30,33)
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n/an/a 5n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111892
PNG
(US8623901, 220)
Show SMILES COc1cncc(c1)-c1ccccc1Cc1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C23H23N5O3/c1-30-18-10-16(12-24-13-18)19-5-3-2-4-15(19)11-21-26-22-20(23(29)27-21)14-25-28(22)17-6-8-31-9-7-17/h2-5,10,12-14,17H,6-9,11H2,1H3,(H,26,27,29)
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n/an/a 5n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111928
PNG
(US8623901, 256)
Show SMILES Clc1ccc(c(Cc2nc3n(ncc3c(=O)[nH]2)C2CCOCC2)c1)-n1cccn1
Show InChI InChI=1S/C20H19ClN6O2/c21-14-2-3-17(26-7-1-6-22-26)13(10-14)11-18-24-19-16(20(28)25-18)12-23-27(19)15-4-8-29-9-5-15/h1-3,6-7,10,12,15H,4-5,8-9,11H2,(H,24,25,28)
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n/an/a 5n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111912
PNG
(US8623901, 240)
Show SMILES O=c1[nH]c(Cc2ccccc2-c2ccccn2)nc2n(ncc12)C1CCOCC1
Show InChI InChI=1S/C22H21N5O2/c28-22-18-14-24-27(16-8-11-29-12-9-16)21(18)25-20(26-22)13-15-5-1-2-6-17(15)19-7-3-4-10-23-19/h1-7,10,14,16H,8-9,11-13H2,(H,25,26,28)
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n/an/a 5n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111913
PNG
(US8623901, 241)
Show SMILES Fc1ccc(nc1)-c1ccccc1Cc1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H20FN5O2/c23-15-5-6-19(24-12-15)17-4-2-1-3-14(17)11-20-26-21-18(22(29)27-20)13-25-28(21)16-7-9-30-10-8-16/h1-6,12-13,16H,7-11H2,(H,26,27,29)
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n/an/a 6n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111894
PNG
(US8623901, 221)
Show SMILES O=c1[nH]c(Cc2ccccc2-c2ccc(nc2)C#N)nc2n(ncc12)C1CCOCC1
Show InChI InChI=1S/C23H20N6O2/c24-12-17-6-5-16(13-25-17)19-4-2-1-3-15(19)11-21-27-22-20(23(30)28-21)14-26-29(22)18-7-9-31-10-8-18/h1-6,13-14,18H,7-11H2,(H,27,28,30)
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n/an/a 6n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111907
PNG
(US8623901, 230-5)
Show SMILES O=c1[nH]c(Cc2ccccc2-c2cc[nH]n2)nc2n(ncc12)C1CCOCC1
Show InChI InChI=1S/C20H20N6O2/c27-20-16-12-22-26(14-6-9-28-10-7-14)19(16)23-18(24-20)11-13-3-1-2-4-15(13)17-5-8-21-25-17/h1-5,8,12,14H,6-7,9-11H2,(H,21,25)(H,23,24,27)
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n/an/a 6n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111898
PNG
(US8623901, 225)
Show SMILES COc1cc(ccn1)-c1ccccc1Cc1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C23H23N5O3/c1-30-21-13-16(6-9-24-21)18-5-3-2-4-15(18)12-20-26-22-19(23(29)27-20)14-25-28(22)17-7-10-31-11-8-17/h2-6,9,13-14,17H,7-8,10-12H2,1H3,(H,26,27,29)
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n/an/a 6n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111901
PNG
(US8623901, 228)
Show SMILES Fc1cc(ccn1)-c1ccccc1Cc1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H20FN5O2/c23-19-11-15(5-8-24-19)17-4-2-1-3-14(17)12-20-26-21-18(22(29)27-20)13-25-28(21)16-6-9-30-10-7-16/h1-5,8,11,13,16H,6-7,9-10,12H2,(H,26,27,29)
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n/an/a 6n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111930
PNG
(US8623901, 258)
Show SMILES Cc1ccn(n1)-c1ccc(Cl)cc1Cc1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C21H21ClN6O2/c1-13-4-7-27(26-13)18-3-2-15(22)10-14(18)11-19-24-20-17(21(29)25-19)12-23-28(20)16-5-8-30-9-6-16/h2-4,7,10,12,16H,5-6,8-9,11H2,1H3,(H,24,25,29)
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n/an/a 7n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111909
PNG
(US8623901, 232)
Show SMILES Cc1nc(no1)-c1ccccc1Cc1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C20H20N6O3/c1-12-22-18(25-29-12)15-5-3-2-4-13(15)10-17-23-19-16(20(27)24-17)11-21-26(19)14-6-8-28-9-7-14/h2-5,11,14H,6-10H2,1H3,(H,23,24,27)
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n/an/a 7n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111931
PNG
(US8623901, 260)
Show SMILES O=c1[nH]c(Cc2ccccc2-c2cccc(OC3CCC3)n2)nc2n(ncc12)C1CCOCC1
Show InChI InChI=1S/C26H27N5O3/c32-26-21-16-27-31(18-11-13-33-14-12-18)25(21)29-23(30-26)15-17-5-1-2-8-20(17)22-9-4-10-24(28-22)34-19-6-3-7-19/h1-2,4-5,8-10,16,18-19H,3,6-7,11-15H2,(H,29,30,32)
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n/an/a 7n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111900
PNG
(US8623901, 227)
Show SMILES COc1ncc(cn1)-c1ccccc1Cc1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H22N6O3/c1-30-22-23-11-15(12-24-22)17-5-3-2-4-14(17)10-19-26-20-18(21(29)27-19)13-25-28(20)16-6-8-31-9-7-16/h2-5,11-13,16H,6-10H2,1H3,(H,26,27,29)
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n/an/a 8n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111934
PNG
(US8623901, 263)
Show SMILES Cc1ccc(nc1)-c1ccccc1Cc1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C23H23N5O2/c1-15-6-7-20(24-13-15)18-5-3-2-4-16(18)12-21-26-22-19(23(29)27-21)14-25-28(22)17-8-10-30-11-9-17/h2-7,13-14,17H,8-12H2,1H3,(H,26,27,29)
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n/an/a 8n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111899
PNG
(US8623901, 226)
Show SMILES O=c1[nH]c(Cc2ccccc2-c2ccc(OCc3ccccc3)nc2)nc2n(ncc12)C1CCOCC1
Show InChI InChI=1S/C29H27N5O3/c35-29-25-18-31-34(23-12-14-36-15-13-23)28(25)32-26(33-29)16-21-8-4-5-9-24(21)22-10-11-27(30-17-22)37-19-20-6-2-1-3-7-20/h1-11,17-18,23H,12-16,19H2,(H,32,33,35)
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n/an/a 9n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111924
PNG
(US8623901, 252)
Show SMILES Cc1ccn(n1)-c1ccccc1Cc1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C21H22N6O2/c1-14-6-9-26(25-14)18-5-3-2-4-15(18)12-19-23-20-17(21(28)24-19)13-22-27(20)16-7-10-29-11-8-16/h2-6,9,13,16H,7-8,10-12H2,1H3,(H,23,24,28)
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n/an/a 11n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111906
PNG
(US8623901, 230-3)
Show SMILES Fc1ccc(cn1)-c1ccccc1Cc1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H20FN5O2/c23-19-6-5-15(12-24-19)17-4-2-1-3-14(17)11-20-26-21-18(22(29)27-20)13-25-28(21)16-7-9-30-10-8-16/h1-6,12-13,16H,7-11H2,(H,26,27,29)
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n/an/a 11n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111897
PNG
(US8623901, 224)
Show SMILES O=c1[nH]c(Cc2ccccc2-c2ccncc2)nc2n(ncc12)C1CCOCC1
Show InChI InChI=1S/C22H21N5O2/c28-22-19-14-24-27(17-7-11-29-12-8-17)21(19)25-20(26-22)13-16-3-1-2-4-18(16)15-5-9-23-10-6-15/h1-6,9-10,14,17H,7-8,11-13H2,(H,25,26,28)
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n/an/a 12n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111903
PNG
(US8623901, 230)
Show SMILES O=c1[nH]c(Cc2ccccc2-c2cncnc2)cc2n(ncc12)C1CCOCC1
Show InChI InChI=1S/C22H21N5O2/c28-22-20-13-25-27(18-5-7-29-8-6-18)21(20)10-17(26-22)9-15-3-1-2-4-19(15)16-11-23-14-24-12-16/h1-4,10-14,18H,5-9H2,(H,26,28)
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n/an/a 12n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111891
PNG
(US8623901, 219)
Show SMILES O=c1[nH]c(Cc2ccccc2-c2cccnc2)nc2n(ncc12)C1CCOCC1
Show InChI InChI=1S/C22H21N5O2/c28-22-19-14-24-27(17-7-10-29-11-8-17)21(19)25-20(26-22)12-15-4-1-2-6-18(15)16-5-3-9-23-13-16/h1-6,9,13-14,17H,7-8,10-12H2,(H,25,26,28)
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n/an/a 12n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111902
PNG
(US8623901, 229)
Show SMILES COc1ccc(cc1)-c1ccccc1Cc1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C24H24N4O3/c1-30-19-8-6-16(7-9-19)20-5-3-2-4-17(20)14-22-26-23-21(24(29)27-22)15-25-28(23)18-10-12-31-13-11-18/h2-9,15,18H,10-14H2,1H3,(H,26,27,29)
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n/an/a 14n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111895
PNG
(US8623901, 222)
Show SMILES O=c1[nH]c(Cc2ccccc2-c2ccc(cc2)C#N)nc2n(ncc12)C1CCOCC1
Show InChI InChI=1S/C24H21N5O2/c25-14-16-5-7-17(8-6-16)20-4-2-1-3-18(20)13-22-27-23-21(24(30)28-22)15-26-29(23)19-9-11-31-12-10-19/h1-8,15,19H,9-13H2,(H,27,28,30)
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n/an/a 15n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111915
PNG
(US8623901, 243)
Show SMILES FC(F)(F)c1cccc(n1)-c1ccccc1Cc1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)19-7-3-6-18(28-19)16-5-2-1-4-14(16)12-20-29-21-17(22(32)30-20)13-27-31(21)15-8-10-33-11-9-15/h1-7,13,15H,8-12H2,(H,29,30,32)
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n/an/a 18n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111908
PNG
(US8623901, 231)
Show SMILES O=c1[nH]c(Cc2ccccc2-n2cccn2)nc2n(ncc12)C1CCOCC1
Show InChI InChI=1S/C20H20N6O2/c27-20-16-13-22-26(15-6-10-28-11-7-15)19(16)23-18(24-20)12-14-4-1-2-5-17(14)25-9-3-8-21-25/h1-5,8-9,13,15H,6-7,10-12H2,(H,23,24,27)
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n/an/a 18n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111933
PNG
(US8623901, 262)
Show SMILES Clc1ccc(nc1)-c1ccccc1Cc1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H20ClN5O2/c23-15-5-6-19(24-12-15)17-4-2-1-3-14(17)11-20-26-21-18(22(29)27-20)13-25-28(21)16-7-9-30-10-8-16/h1-6,12-13,16H,7-11H2,(H,26,27,29)
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n/an/a 20n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111926
PNG
(US8623901, 254)
Show SMILES O=c1[nH]c(Cc2ccccc2-c2cccnn2)nc2n(ncc12)C1CCOCC1
Show InChI InChI=1S/C21H20N6O2/c28-21-17-13-23-27(15-7-10-29-11-8-15)20(17)24-19(25-21)12-14-4-1-2-5-16(14)18-6-3-9-22-26-18/h1-6,9,13,15H,7-8,10-12H2,(H,24,25,28)
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n/an/a 20n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111917
PNG
(US8623901, 245)
Show SMILES Cc1ccc(o1)-c1ccccc1Cc1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H22N4O3/c1-14-6-7-19(29-14)17-5-3-2-4-15(17)12-20-24-21-18(22(27)25-20)13-23-26(21)16-8-10-28-11-9-16/h2-7,13,16H,8-12H2,1H3,(H,24,25,27)
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n/an/a 21n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111914
PNG
(US8623901, 242)
Show SMILES FC(F)(F)c1ccc(nc1)-c1ccccc1Cc1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)15-5-6-19(27-12-15)17-4-2-1-3-14(17)11-20-29-21-18(22(32)30-20)13-28-31(21)16-7-9-33-10-8-16/h1-6,12-13,16H,7-11H2,(H,29,30,32)
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n/an/a 23n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111922
PNG
(US8623901, 250)
Show SMILES FC(F)(F)c1cnn(c1)-c1ccccc1Cc1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C21H19F3N6O2/c22-21(23,24)14-10-25-29(12-14)17-4-2-1-3-13(17)9-18-27-19-16(20(31)28-18)11-26-30(19)15-5-7-32-8-6-15/h1-4,10-12,15H,5-9H2,(H,27,28,31)
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n/an/a 24n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111916
PNG
(US8623901, 244)
Show SMILES FC(F)(F)c1ccnc(c1)-c1ccccc1Cc1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)15-5-8-27-19(12-15)17-4-2-1-3-14(17)11-20-29-21-18(22(32)30-20)13-28-31(21)16-6-9-33-10-7-16/h1-5,8,12-13,16H,6-7,9-11H2,(H,29,30,32)
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n/an/a 26n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111919
PNG
(US8623901, 247)
Show SMILES O=c1[nH]c(Cc2ccccc2-c2ccnnc2)nc2n(ncc12)C1CCOCC1
Show InChI InChI=1S/C21H20N6O2/c28-21-18-13-24-27(16-6-9-29-10-7-16)20(18)25-19(26-21)11-14-3-1-2-4-17(14)15-5-8-22-23-12-15/h1-5,8,12-13,16H,6-7,9-11H2,(H,25,26,28)
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n/an/a 27n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111921
PNG
(US8623901, 249)
Show SMILES Cc1ncn(n1)-c1ccccc1Cc1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C20H21N7O2/c1-13-21-12-26(25-13)17-5-3-2-4-14(17)10-18-23-19-16(20(28)24-18)11-22-27(19)15-6-8-29-9-7-15/h2-5,11-12,15H,6-10H2,1H3,(H,23,24,28)
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n/an/a 28n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111929
PNG
(US8623901, 257)
Show SMILES FC(F)(F)c1ccc(c(Cc2nc3n(ncc3c(=O)[nH]2)C2CCOCC2)c1)-n1cccn1
Show InChI InChI=1S/C21H19F3N6O2/c22-21(23,24)14-2-3-17(29-7-1-6-25-29)13(10-14)11-18-27-19-16(20(31)28-18)12-26-30(19)15-4-8-32-9-5-15/h1-3,6-7,10,12,15H,4-5,8-9,11H2,(H,27,28,31)
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n/an/a 31n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM111925
PNG
(US8623901, 253)
Show SMILES O=c1[nH]c(Cc2ccccc2-n2cccc2)nc2n(ncc12)C1CCOCC1
Show InChI InChI=1S/C21H21N5O2/c27-21-17-14-22-26(16-7-11-28-12-8-16)20(17)23-19(24-21)13-15-5-1-2-6-18(15)25-9-3-4-10-25/h1-6,9-10,14,16H,7-8,11-13H2,(H,23,24,27)
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n/an/a 34n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US8623901 (2014)


BindingDB Entry DOI: 10.7270/Q2Z036TP
More data for this
Ligand-Target Pair
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