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Compile Data Set for Download or QSAR

Found 696 hits with Last Name = 'basu' and Initial = 'k'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364330
PNG
(CHEMBL1949936)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccncc3)c2c1
Show InChI InChI=1S/C19H18N4O2/c1-10-8-13(25-3)9-14-16(18(24)12-4-6-20-7-5-12)15-11(2)22-23-19(15)21-17(10)14/h4-9,18,24H,1-3H3,(H,21,22,23)
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0.0600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364327
PNG
(CHEMBL1949939)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccnc(F)c3)c2c1
Show InChI InChI=1S/C19H17FN4O2/c1-9-6-12(26-3)8-13-16(18(25)11-4-5-21-14(20)7-11)15-10(2)23-24-19(15)22-17(9)13/h4-8,18,25H,1-3H3,(H,22,23,24)
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0.0700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364339
PNG
(CHEMBL1950085)
Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ccncc3)c12
Show InChI InChI=1S/C18H15ClN4O/c1-9-7-12(19)8-13-15(17(24)11-3-5-20-6-4-11)14-10(2)22-23-18(14)21-16(9)13/h3-8,17,24H,1-2H3,(H,21,22,23)
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364340
PNG
(CHEMBL1950084)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(F)c3ccncc3)c2c1
Show InChI InChI=1S/C19H17FN4O/c1-10-8-13(25-3)9-14-16(17(20)12-4-6-21-7-5-12)15-11(2)23-24-19(15)22-18(10)14/h4-9,17H,1-3H3,(H,22,23,24)
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0.300n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364335
PNG
(CHEMBL1950089)
Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ncco3)c12
Show InChI InChI=1S/C16H13ClN4O2/c1-7-5-9(17)6-10-12(14(22)16-18-3-4-23-16)11-8(2)20-21-15(11)19-13(7)10/h3-6,14,22H,1-2H3,(H,19,20,21)
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0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364332
PNG
(CHEMBL1949940)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ncco3)c2c1
Show InChI InChI=1S/C17H16N4O3/c1-8-6-10(23-3)7-11-13(15(22)17-18-4-5-24-17)12-9(2)20-21-16(12)19-14(8)11/h4-7,15,22H,1-3H3,(H,19,20,21)
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0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364336
PNG
(CHEMBL1950088)
Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ccnc(F)c3)c12
Show InChI InChI=1S/C18H14ClFN4O/c1-8-5-11(19)7-12-15(17(25)10-3-4-21-13(20)6-10)14-9(2)23-24-18(14)22-16(8)12/h3-7,17,25H,1-2H3,(H,22,23,24)
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1n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364346
PNG
(CHEMBL1950083)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(=O)c3ccncc3)c2c1
Show InChI InChI=1S/C19H16N4O2/c1-10-8-13(25-3)9-14-16(18(24)12-4-6-20-7-5-12)15-11(2)22-23-19(15)21-17(10)14/h4-9H,1-3H3,(H,21,22,23)
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1n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364344
PNG
(CHEMBL1950078)
Show SMILES COc1ccc(cc1)C(O)c1c2c(C)n[nH]c2nc2c(C)cc(OC)cc12
Show InChI InChI=1S/C21H21N3O3/c1-11-9-15(27-4)10-16-18(17-12(2)23-24-21(17)22-19(11)16)20(25)13-5-7-14(26-3)8-6-13/h5-10,20,25H,1-4H3,(H,22,23,24)
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364342
PNG
(CHEMBL1950081)
Show SMILES COc1ccc(cc1)C(C#N)c1c2c(C)n[nH]c2nc2c(C)cc(OC)cc12
Show InChI InChI=1S/C22H20N4O2/c1-12-9-16(28-4)10-17-20(19-13(2)25-26-22(19)24-21(12)17)18(11-23)14-5-7-15(27-3)8-6-14/h5-10,18H,1-4H3,(H,24,25,26)
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364345
PNG
(CHEMBL1949942)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3cncs3)c2c1
Show InChI InChI=1S/C17H16N4O2S/c1-8-4-10(23-3)5-11-14(16(22)12-6-18-7-24-12)13-9(2)20-21-17(13)19-15(8)11/h4-7,16,22H,1-3H3,(H,19,20,21)
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364333
PNG
(CHEMBL1950091)
Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3cnc(C)nc3)c12
Show InChI InChI=1S/C18H16ClN5O/c1-8-4-12(19)5-13-15(17(25)11-6-20-10(3)21-7-11)14-9(2)23-24-18(14)22-16(8)13/h4-7,17,25H,1-3H3,(H,22,23,24)
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3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364341
PNG
(CHEMBL1950082)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(c2c1)C(C)(O)c1ccncc1
Show InChI InChI=1S/C20H20N4O2/c1-11-9-14(26-4)10-15-17(20(3,25)13-5-7-21-8-6-13)16-12(2)23-24-19(16)22-18(11)15/h5-10,25H,1-4H3,(H,22,23,24)
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4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362043
PNG
(CHEMBL1940053)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1
Show InChI InChI=1S/C19H24N4O2/c1-12-9-14(24-3)10-15-16(11-23-5-4-7-25-8-6-23)17-13(2)21-22-19(17)20-18(12)15/h9-10H,4-8,11H2,1-3H3,(H,20,21,22)
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5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364329
PNG
(CHEMBL1949937)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3cccnc3)c2c1
Show InChI InChI=1S/C19H18N4O2/c1-10-7-13(25-3)8-14-16(18(24)12-5-4-6-20-9-12)15-11(2)22-23-19(15)21-17(10)14/h4-9,18,24H,1-3H3,(H,21,22,23)
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10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364338
PNG
(CHEMBL1950086)
Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3cccnc3)c12
Show InChI InChI=1S/C18H15ClN4O/c1-9-6-12(19)7-13-15(17(24)11-4-3-5-20-8-11)14-10(2)22-23-18(14)21-16(9)13/h3-8,17,24H,1-2H3,(H,21,22,23)
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11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364343
PNG
(CHEMBL1950080)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(C#N)c3ccccc3)c2c1
Show InChI InChI=1S/C21H18N4O/c1-12-9-15(26-3)10-16-19(17(11-22)14-7-5-4-6-8-14)18-13(2)24-25-21(18)23-20(12)16/h4-10,17H,1-3H3,(H,23,24,25)
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12n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364334
PNG
(CHEMBL1950090)
Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3cncn3C)c12
Show InChI InChI=1S/C17H16ClN5O/c1-8-4-10(18)5-11-14(16(24)12-6-19-7-23(12)3)13-9(2)21-22-17(13)20-15(8)11/h4-7,16,24H,1-3H3,(H,20,21,22)
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21n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364331
PNG
(CHEMBL1949941)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3cncn3C)c2c1
Show InChI InChI=1S/C18H19N5O2/c1-9-5-11(25-4)6-12-15(17(24)13-7-19-8-23(13)3)14-10(2)21-22-18(14)20-16(9)12/h5-8,17,24H,1-4H3,(H,20,21,22)
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21n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364337
PNG
(CHEMBL1950087)
Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ccccn3)c12
Show InChI InChI=1S/C18H15ClN4O/c1-9-7-11(19)8-12-15(17(24)13-5-3-4-6-20-13)14-10(2)22-23-18(14)21-16(9)12/h3-8,17,24H,1-2H3,(H,21,22,23)
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39n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364348
PNG
(CHEMBL1950077)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccccc3)c2c1
Show InChI InChI=1S/C20H19N3O2/c1-11-9-14(25-3)10-15-17(19(24)13-7-5-4-6-8-13)16-12(2)22-23-20(16)21-18(11)15/h4-10,19,24H,1-3H3,(H,21,22,23)
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50n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364328
PNG
(CHEMBL1949938)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccccn3)c2c1
Show InChI InChI=1S/C19H18N4O2/c1-10-8-12(25-3)9-13-16(18(24)14-6-4-5-7-20-14)15-11(2)22-23-19(15)21-17(10)13/h4-9,18,24H,1-3H3,(H,21,22,23)
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54n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364347
PNG
(CHEMBL1950079)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccc(F)cc3)c2c1
Show InChI InChI=1S/C20H18FN3O2/c1-10-8-14(26-3)9-15-17(19(25)12-4-6-13(21)7-5-12)16-11(2)23-24-20(16)22-18(10)15/h4-9,19,25H,1-3H3,(H,22,23,24)
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83n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257380
PNG
(US9493440, 230)
Show SMILES CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CCF)CC3)c2c1
Show InChI InChI=1S/C21H25FN6O/c1-21(4-5-21)29-15-2-3-17-16(12-15)20(26-25-17)18-13-19(24-14-23-18)28-10-8-27(7-6-22)9-11-28/h2-3,12-14H,4-11H2,1H3,(H,25,26)
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n/an/a 0.450n/an/an/an/a8.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257387
PNG
(US9493440, T2)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 |r|
Show InChI InChI=1/C22H28N6O/c1-14-11-28(12-15(2)27(14)4)20-10-19(23-13-24-20)21-17-9-16(29-22(3)7-8-22)5-6-18(17)25-26-21/h5-6,9-10,13-15H,7-8,11-12H2,1-4H3,(H,25,26)/t14-,15+
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n/an/a 0.490n/an/an/an/a8.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257316
PNG
(US9493440, 160)
Show SMILES COCCN1CCN(CC1)c1cc(ncn1)-c1n[nH]c2cc(F)c(OC3(C)CC3)cc12
Show InChI InChI=1S/C22H27FN6O2/c1-22(3-4-22)31-19-11-15-17(12-16(19)23)26-27-21(15)18-13-20(25-14-24-18)29-7-5-28(6-8-29)9-10-30-2/h11-14H,3-10H2,1-2H3,(H,26,27)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257289
PNG
(US9493440, 133)
Show SMILES CCN1CCN(C[C@@H]1C)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 |r|
Show InChI InChI=1/C22H28N6O/c1-4-27-9-10-28(13-15(27)2)20-12-19(23-14-24-20)21-17-11-16(29-22(3)7-8-22)5-6-18(17)25-26-21/h5-6,11-12,14-15H,4,7-10,13H2,1-3H3,(H,25,26)/t15-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257287
PNG
(US9493440, 131)
Show SMILES COCC(C)N1CCN(C[C@@H]1C)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 |r|
Show InChI InChI=1/C24H32N6O2/c1-16-13-29(9-10-30(16)17(2)14-31-4)22-12-21(25-15-26-22)23-19-11-18(32-24(3)7-8-24)5-6-20(19)27-28-23/h5-6,11-12,15-17H,7-10,13-14H2,1-4H3,(H,27,28)/t16-,17?/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257194
PNG
(US9493440, 38)
Show SMILES CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC4(CNC(=O)C4)CC3)c2c1
Show InChI InChI=1S/C23H26N6O2/c1-22(4-5-22)31-15-2-3-17-16(10-15)21(28-27-17)18-11-19(26-14-25-18)29-8-6-23(7-9-29)12-20(30)24-13-23/h2-3,10-11,14H,4-9,12-13H2,1H3,(H,24,30)(H,27,28)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257184
PNG
(BDBM257386 | US9493440, 26)
Show SMILES C[C@H]1CN(CCN1C)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 |r|
Show InChI InChI=1/C21H26N6O/c1-14-12-27(9-8-26(14)3)19-11-18(22-13-23-19)20-16-10-15(28-21(2)6-7-21)4-5-17(16)24-25-20/h4-5,10-11,13-14H,6-9,12H2,1-3H3,(H,24,25)/t14-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257307
PNG
(US9493440, 151)
Show SMILES C[C@@H]1CN(CCO1)c1cc(ncn1)-c1n[nH]c2cc(F)c(OC3(C)CC3)cc12 |r|
Show InChI InChI=1/C20H22FN5O2/c1-12-10-26(5-6-27-12)18-9-16(22-11-23-18)19-13-7-17(28-20(2)3-4-20)14(21)8-15(13)24-25-19/h7-9,11-12H,3-6,10H2,1-2H3,(H,24,25)/t12-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257330
PNG
(US9493440, 174)
Show SMILES Cc1nonc1N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2cc(F)c(OC3(C)CC3)cc12
Show InChI InChI=1S/C22H23FN8O2/c1-13-21(29-33-28-13)31-7-5-30(6-8-31)19-11-17(24-12-25-19)20-14-9-18(32-22(2)3-4-22)15(23)10-16(14)26-27-20/h9-12H,3-8H2,1-2H3,(H,26,27)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257285
PNG
(US9493440, 129)
Show SMILES C[C@H]1CN(CCN1Cc1ncco1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 |r|
Show InChI InChI=1/C24H27N7O2/c1-16-13-31(9-8-30(16)14-22-25-7-10-32-22)21-12-20(26-15-27-21)23-18-11-17(33-24(2)5-6-24)3-4-19(18)28-29-23/h3-4,7,10-12,15-16H,5-6,8-9,13-14H2,1-2H3,(H,28,29)/t16-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257295
PNG
(US9493440, 139)
Show SMILES COCC(C)N1CCN(C[C@H]1C)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 |r|
Show InChI InChI=1/C24H32N6O2/c1-16-13-29(9-10-30(16)17(2)14-31-4)22-12-21(25-15-26-22)23-19-11-18(32-24(3)7-8-24)5-6-20(19)27-28-23/h5-6,11-12,15-17H,7-10,13-14H2,1-4H3,(H,27,28)/t16-,17?/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257311
PNG
(US9493440, 155)
Show SMILES CC1(CC1)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C20H23FN6O3S/c1-20(3-4-20)30-17-9-13-15(10-14(17)21)24-25-19(13)16-11-18(23-12-22-16)26-5-7-27(8-6-26)31(2,28)29/h9-12H,3-8H2,1-2H3,(H,24,25)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257309
PNG
(US9493440, 153)
Show SMILES CN1CCN(CC1)c1cc(ncn1)-c1n[nH]c2cc(F)c(OC3(C)CC3)cc12
Show InChI InChI=1S/C20H23FN6O/c1-20(3-4-20)28-17-9-13-15(10-14(17)21)24-25-19(13)16-11-18(23-12-22-16)27-7-5-26(2)6-8-27/h9-12H,3-8H2,1-2H3,(H,24,25)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257326
PNG
(US9493440, 170)
Show SMILES CC1(CC1)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCS(=O)CC1
Show InChI InChI=1S/C19H20FN5O2S/c1-19(2-3-19)27-16-8-12-14(9-13(16)20)23-24-18(12)15-10-17(22-11-21-15)25-4-6-28(26)7-5-25/h8-11H,2-7H2,1H3,(H,23,24)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257342
PNG
(US9493440, 186)
Show SMILES CC1(CC1)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C19H20FN5O3S/c1-19(2-3-19)28-16-8-12-14(9-13(16)20)23-24-18(12)15-10-17(22-11-21-15)25-4-6-29(26,27)7-5-25/h8-11H,2-7H2,1H3,(H,23,24)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257312
PNG
(US9493440, 156)
Show SMILES CN1CCN(CC1=O)c1cc(ncn1)-c1n[nH]c2cc(F)c(OC3(C)CC3)cc12
Show InChI InChI=1S/C20H21FN6O2/c1-20(3-4-20)29-16-7-12-14(8-13(16)21)24-25-19(12)15-9-17(23-11-22-15)27-6-5-26(2)18(28)10-27/h7-9,11H,3-6,10H2,1-2H3,(H,24,25)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257161
PNG
(BDBM257389 | US9493440, 1)
Show SMILES CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
Show InChI InChI=1S/C19H21N5O2/c1-19(4-5-19)26-13-2-3-15-14(10-13)18(23-22-15)16-11-17(21-12-20-16)24-6-8-25-9-7-24/h2-3,10-12H,4-9H2,1H3,(H,22,23)
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n/an/a 0.600n/an/an/an/a8.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257175
PNG
(US9493440, 16)
Show SMILES C[C@@H]1CN(CCN1C)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 |r|
Show InChI InChI=1/C21H26N6O/c1-14-12-27(9-8-26(14)3)19-11-18(22-13-23-19)20-16-10-15(28-21(2)6-7-21)4-5-17(16)24-25-20/h4-5,10-11,13-14H,6-9,12H2,1-3H3,(H,24,25)/t14-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257184
PNG
(BDBM257386 | US9493440, 26)
Show SMILES C[C@H]1CN(CCN1C)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 |r|
Show InChI InChI=1/C21H26N6O/c1-14-12-27(9-8-26(14)3)19-11-18(22-13-23-19)20-16-10-15(28-21(2)6-7-21)4-5-17(16)24-25-20/h4-5,10-11,13-14H,6-9,12H2,1-3H3,(H,24,25)/t14-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257189
PNG
(BDBM257192 | US9493440, 33)
Show SMILES CCS(=O)(=O)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12
Show InChI InChI=1S/C21H26N6O3S/c1-3-31(28,29)27-10-8-26(9-11-27)19-13-18(22-14-23-19)20-16-12-15(30-21(2)6-7-21)4-5-17(16)24-25-20/h4-5,12-14H,3,6-11H2,1-2H3,(H,24,25)
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n/an/a 0.630n/an/an/an/a8.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257189
PNG
(BDBM257192 | US9493440, 33)
Show SMILES CCS(=O)(=O)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12
Show InChI InChI=1S/C21H26N6O3S/c1-3-31(28,29)27-10-8-26(9-11-27)19-13-18(22-14-23-19)20-16-12-15(30-21(2)6-7-21)4-5-17(16)24-25-20/h4-5,12-14H,3,6-11H2,1-2H3,(H,24,25)
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n/an/a 0.630n/an/an/an/a8.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257315
PNG
(US9493440, 159)
Show SMILES CC1(CC1)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN(CCF)CC1
Show InChI InChI=1S/C21H24F2N6O/c1-21(2-3-21)30-18-10-14-16(11-15(18)23)26-27-20(14)17-12-19(25-13-24-17)29-8-6-28(5-4-22)7-9-29/h10-13H,2-9H2,1H3,(H,26,27)
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n/an/a 0.670n/an/an/an/a8.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257371
PNG
(US9493440, 219)
Show SMILES CCC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)S(C)(=O)=O)c2c1
Show InChI InChI=1S/C21H26N6O3S/c1-3-21(6-7-21)30-15-4-5-17-16(12-15)20(25-24-17)18-13-19(23-14-22-18)26-8-10-27(11-9-26)31(2,28)29/h4-5,12-14H,3,6-11H2,1-2H3,(H,24,25)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257292
PNG
(US9493440, 136)
Show SMILES C[C@@H]1CN(CCN1Cc1cocn1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 |r|
Show InChI InChI=1/C24H27N7O2/c1-16-11-31(8-7-30(16)12-17-13-32-15-27-17)22-10-21(25-14-26-22)23-19-9-18(33-24(2)5-6-24)3-4-20(19)28-29-23/h3-4,9-10,13-16H,5-8,11-12H2,1-2H3,(H,28,29)/t16-/s2
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n/an/a 0.700n/an/an/an/a8.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257286
PNG
(US9493440, 130)
Show SMILES C[C@H]1CN(CCN1Cc1cocn1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 |r|
Show InChI InChI=1/C24H27N7O2/c1-16-11-31(8-7-30(16)12-17-13-32-15-27-17)22-10-21(25-14-26-22)23-19-9-18(33-24(2)5-6-24)3-4-20(19)28-29-23/h3-4,9-10,13-16H,5-8,11-12H2,1-2H3,(H,28,29)/t16-/s2
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n/an/a 0.700n/an/an/an/a8.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257284
PNG
(US9493440, 128)
Show SMILES C[C@H]1CN(CCN1Cc1ccco1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 |r|
Show InChI InChI=1/C25H28N6O2/c1-17-14-31(10-9-30(17)15-19-4-3-11-32-19)23-13-22(26-16-27-23)24-20-12-18(33-25(2)7-8-25)5-6-21(20)28-29-24/h3-6,11-13,16-17H,7-10,14-15H2,1-2H3,(H,28,29)/t17-/s2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257271
PNG
(US9493440, 115)
Show SMILES CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC4CCCO4)CC3)c2c1
Show InChI InChI=1/C24H30N6O2/c1-24(6-7-24)32-17-4-5-20-19(13-17)23(28-27-20)21-14-22(26-16-25-21)30-10-8-29(9-11-30)15-18-3-2-12-31-18/h4-5,13-14,16,18H,2-3,6-12,15H2,1H3,(H,27,28)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
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