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Compile Data Set for Download or QSAR

Found 854 hits with Last Name = 'dost' and Initial = 'r'   
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
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
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))
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
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))
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
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
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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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))
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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM204680
PNG
(1-(2-chloro-phenyl)-4-methyl-7-(quinolin-2-ylmetho...)
Show SMILES Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C26H18ClN5O/c1-16-25-30-31-26(20-7-3-4-8-21(20)27)32(25)24-13-12-19(14-23(24)28-16)33-15-18-11-10-17-6-2-5-9-22(17)29-18/h2-14H,15H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The DNA of PDE10A1 (AB 020593, 2340 bp) was synthesized and cloned into the vector pCR4. TOPO (Entelechon GmbH, Regensburg, Germany). The gene was th...


US Patent US9540379 (2017)


BindingDB Entry DOI: 10.7270/Q2RB72SP
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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n/an/a 1.20n/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))
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))
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
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
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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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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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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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



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))
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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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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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))
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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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))
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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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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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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM204682
PNG
(8-bromo-1-(2-chloro-phenyl)-4-methy[1,2,4]triazolo...)
Show SMILES Cc1nc2ccc(Br)cc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C16H10BrClN4/c1-9-15-20-21-16(11-4-2-3-5-12(11)18)22(15)14-8-10(17)6-7-13(14)19-9/h2-8H,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The DNA encoding PDE2A (NM002599) was cloned and the gene was inserted in the baculovirus and the enzyme-protein expressed in SF21-cells. The enzyme ...


US Patent US9540379 (2017)


BindingDB Entry DOI: 10.7270/Q2RB72SP
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM204684
PNG
(8-bromo-1-(5-butoxy-2-chloro-phenyl)-4-methyl-[1,2...)
Show SMILES CCCCOc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(Br)cc3n12
Show InChI InChI=1S/C20H18BrClN4O/c1-3-4-9-27-14-6-7-16(22)15(11-14)20-25-24-19-12(2)23-17-8-5-13(21)10-18(17)26(19)20/h5-8,10-11H,3-4,9H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The DNA encoding PDE2A (NM002599) was cloned and the gene was inserted in the baculovirus and the enzyme-protein expressed in SF21-cells. The enzyme ...


US Patent US9540379 (2017)


BindingDB Entry DOI: 10.7270/Q2RB72SP
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM204680
PNG
(1-(2-chloro-phenyl)-4-methyl-7-(quinolin-2-ylmetho...)
Show SMILES Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C26H18ClN5O/c1-16-25-30-31-26(20-7-3-4-8-21(20)27)32(25)24-13-12-19(14-23(24)28-16)33-15-18-11-10-17-6-2-5-9-22(17)29-18/h2-14H,15H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The DNA encoding PDE2A (NM002599) was cloned and the gene was inserted in the baculovirus and the enzyme-protein expressed in SF21-cells. The enzyme ...


US Patent US9540379 (2017)


BindingDB Entry DOI: 10.7270/Q2RB72SP
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM204147
PNG
(1-(5-butoxy-2-chloro-phenyl)-8-chloro-4-methyl-[1,...)
Show SMILES CCCCOc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(Cl)cc3n12
Show InChI InChI=1S/C20H18Cl2N4O/c1-3-4-9-27-14-6-7-16(22)15(11-14)20-25-24-19-12(2)23-17-8-5-13(21)10-18(17)26(19)20/h5-8,10-11H,3-4,9H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The DNA encoding PDE2A (NM002599) was cloned and the gene was inserted in the baculovirus and the enzyme-protein expressed in SF21-cells. The enzyme ...


US Patent US9540379 (2017)


BindingDB Entry DOI: 10.7270/Q2RB72SP
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM204718
PNG
(4-chloro-3-(8-chloro-4-methyl-[1,2,4]triazolo[4,3-...)
Show SMILES Cc1nc2ccc(Cl)cc2n2c(nnc12)-c1cc(O)ccc1Cl
Show InChI InChI=1S/C16H10Cl2N4O/c1-8-15-20-21-16(11-7-10(23)3-4-12(11)18)22(15)14-6-9(17)2-5-13(14)19-8/h2-7,23H,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The DNA encoding PDE2A (NM002599) was cloned and the gene was inserted in the baculovirus and the enzyme-protein expressed in SF21-cells. The enzyme ...


US Patent US9540379 (2017)


BindingDB Entry DOI: 10.7270/Q2RB72SP
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
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
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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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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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))
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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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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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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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))
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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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))
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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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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM204681
PNG
(1-(2-chloro-phenyl)-4-methyl-8-(quinolin-2-ylmetho...)
Show SMILES Cc1nc2ccc(OCc3ccc4ccccc4n3)cc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C26H18ClN5O/c1-16-25-30-31-26(20-7-3-4-8-21(20)27)32(25)24-14-19(12-13-23(24)28-16)33-15-18-11-10-17-6-2-5-9-22(17)29-18/h2-14H,15H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The DNA encoding PDE2A (NM002599) was cloned and the gene was inserted in the baculovirus and the enzyme-protein expressed in SF21-cells. The enzyme ...


US Patent US9540379 (2017)


BindingDB Entry DOI: 10.7270/Q2RB72SP
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM204665
PNG
(1-(5-butoxy-2-fluoro-phenyl)-4-methyl-8-trifluorom...)
Show SMILES CCCCOc1ccc(F)c(c1)-c1nnc2c(C)nc3ccc(cc3n12)C(F)(F)F
Show InChI InChI=1S/C21H18F4N4O/c1-3-4-9-30-14-6-7-16(22)15(11-14)20-28-27-19-12(2)26-17-8-5-13(21(23,24)25)10-18(17)29(19)20/h5-8,10-11H,3-4,9H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The DNA encoding PDE2A (NM002599) was cloned and the gene was inserted in the baculovirus and the enzyme-protein expressed in SF21-cells. The enzyme ...


US Patent US9540379 (2017)


BindingDB Entry DOI: 10.7270/Q2RB72SP
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM204136
PNG
(8-Chloro-1-(2-chloro-phenyl)-4-methyl-[1,2,4]triaz...)
Show SMILES Cc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C16H10Cl2N4/c1-9-15-20-21-16(11-4-2-3-5-12(11)18)22(15)14-8-10(17)6-7-13(14)19-9/h2-8H,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The DNA encoding PDE2A (NM002599) was cloned and the gene was inserted in the baculovirus and the enzyme-protein expressed in SF21-cells. The enzyme ...


US Patent US9540379 (2017)


BindingDB Entry DOI: 10.7270/Q2RB72SP
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM204627
PNG
(1-(5-butoxy-2-chloro-phenyl)-4-methyl-[1,2,4]triaz...)
Show SMILES CCCCOc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccccc3n12
Show InChI InChI=1S/C20H19ClN4O/c1-3-4-11-26-14-9-10-16(21)15(12-14)20-24-23-19-13(2)22-17-7-5-6-8-18(17)25(19)20/h5-10,12H,3-4,11H2,1-2H3
PDB

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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The DNA encoding PDE2A (NM002599) was cloned and the gene was inserted in the baculovirus and the enzyme-protein expressed in SF21-cells. The enzyme ...


US Patent US9540379 (2017)


BindingDB Entry DOI: 10.7270/Q2RB72SP
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM204686
PNG
(8-bromo-1-(5-butoxy-2-fluoro-phenyl)-4-methyl-[1,2...)
Show SMILES CCCCOc1ccc(F)c(c1)-c1nnc2c(C)nc3ccc(Br)cc3n12
Show InChI InChI=1S/C20H18BrFN4O/c1-3-4-9-27-14-6-7-16(22)15(11-14)20-25-24-19-12(2)23-17-8-5-13(21)10-18(17)26(19)20/h5-8,10-11H,3-4,9H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The DNA encoding PDE2A (NM002599) was cloned and the gene was inserted in the baculovirus and the enzyme-protein expressed in SF21-cells. The enzyme ...


US Patent US9540379 (2017)


BindingDB Entry DOI: 10.7270/Q2RB72SP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396890
PNG
(US9981950, Example 97)
Show SMILES CC(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C16H16ClF2N5O/c1-10(2)15-20-5-6-23(15)8-11-9-24(22-21-11)12-3-4-13(17)14(7-12)25-16(18)19/h3-7,9-10,16H,8H2,1-2H3
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n/an/a 3.12n/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))
BDBM396890
PNG
(US9981950, Example 97)
Show SMILES CC(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C16H16ClF2N5O/c1-10(2)15-20-5-6-23(15)8-11-9-24(22-21-11)12-3-4-13(17)14(7-12)25-16(18)19/h3-7,9-10,16H,8H2,1-2H3
PDB
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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
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM396890
PNG
(US9981950, Example 97)
Show SMILES CC(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C16H16ClF2N5O/c1-10(2)15-20-5-6-23(15)8-11-9-24(22-21-11)12-3-4-13(17)14(7-12)25-16(18)19/h3-7,9-10,16H,8H2,1-2H3
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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))
BDBM396882
PNG
(US9981950, Example 89)
Show SMILES Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
Show InChI InChI=1S/C14H12ClF2N5/c1-9-18-4-5-21(9)7-10-8-22(20-19-10)11-2-3-13(15)12(6-11)14(16)17/h2-6,8,14H,7H2,1H3
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n/an/a 3.37n/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
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