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Compile Data Set for Download or QSAR

Found 218 hits with Last Name = 'ogutu' and Initial = 'h'   
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))
BDBM50209545
PNG
(2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-qu...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(NC(Cc2cccnc2)C(O)=O)c1C#N |w:26.28|
Show InChI InChI=1S/C32H25FN4O3/c1-2-40-29-8-4-3-7-24(29)21-9-11-22(12-10-21)30-26(18-34)31(25-17-23(33)13-14-27(25)36-30)37-28(32(38)39)16-20-6-5-15-35-19-20/h3-15,17,19,28H,2,16H2,1H3,(H,36,37)(H,38,39)
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n/an/a 0.300n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209538
PNG
(1-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-qu...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(NC2(CC2)C(O)=O)c1C#N
Show InChI InChI=1S/C28H22FN3O3/c1-2-35-24-6-4-3-5-20(24)17-7-9-18(10-8-17)25-22(16-30)26(32-28(13-14-28)27(33)34)21-15-19(29)11-12-23(21)31-25/h3-12,15H,2,13-14H2,1H3,(H,31,32)(H,33,34)
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209526
PNG
(3-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-qu...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(NCCC(O)=O)c1C#N
Show InChI InChI=1S/C27H22FN3O3/c1-2-34-24-6-4-3-5-20(24)17-7-9-18(10-8-17)26-22(16-29)27(30-14-13-25(32)33)21-15-19(28)11-12-23(21)31-26/h3-12,15H,2,13-14H2,1H3,(H,30,31)(H,32,33)
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209522
PNG
((S)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluor...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(N[C@@H](Cc2ccccc2)C(O)=O)c1C#N
Show InChI InChI=1S/C33H26FN3O3/c1-2-40-30-11-7-6-10-25(30)22-12-14-23(15-13-22)31-27(20-35)32(26-19-24(34)16-17-28(26)36-31)37-29(33(38)39)18-21-8-4-3-5-9-21/h3-17,19,29H,2,18H2,1H3,(H,36,37)(H,38,39)/t29-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209543
PNG
((R)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-quinoli...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccccc2c(N[C@H](C)C(O)=O)c1C#N
Show InChI InChI=1S/C27H23N3O3/c1-3-33-24-11-7-5-8-20(24)18-12-14-19(15-13-18)25-22(16-28)26(29-17(2)27(31)32)21-9-4-6-10-23(21)30-25/h4-15,17H,3H2,1-2H3,(H,29,30)(H,31,32)/t17-/m1/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209547
PNG
(2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-qu...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(NC(CC(F)(F)F)C(O)=O)c1C#N |w:26.28|
Show InChI InChI=1S/C28H21F4N3O3/c1-2-38-24-6-4-3-5-19(24)16-7-9-17(10-8-16)25-21(15-33)26(20-13-18(29)11-12-22(20)34-25)35-23(27(36)37)14-28(30,31)32/h3-13,23H,2,14H2,1H3,(H,34,35)(H,36,37)
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209539
PNG
(2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-qu...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(NC(Cc2ccccc2)C(O)=O)c1C#N |w:26.28|
Show InChI InChI=1S/C33H26FN3O3/c1-2-40-30-11-7-6-10-25(30)22-12-14-23(15-13-22)31-27(20-35)32(26-19-24(34)16-17-28(26)36-31)37-29(33(38)39)18-21-8-4-3-5-9-21/h3-17,19,29H,2,18H2,1H3,(H,36,37)(H,38,39)
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209536
PNG
(4-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-qu...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(NCCCC(O)=O)c1C#N
Show InChI InChI=1S/C28H24FN3O3/c1-2-35-25-7-4-3-6-21(25)18-9-11-19(12-10-18)27-23(17-30)28(31-15-5-8-26(33)34)22-16-20(29)13-14-24(22)32-27/h3-4,6-7,9-14,16H,2,5,8,15H2,1H3,(H,31,32)(H,33,34)
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209525
PNG
((R)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-metho...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(OC)cc2c(N[C@H](C)C(O)=O)c1C#N
Show InChI InChI=1S/C28H25N3O4/c1-4-35-25-8-6-5-7-21(25)18-9-11-19(12-10-18)26-23(16-29)27(30-17(2)28(32)33)22-15-20(34-3)13-14-24(22)31-26/h5-15,17H,4H2,1-3H3,(H,30,31)(H,32,33)/t17-/m1/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209519
PNG
(4-[3-cyano-2-(2'-ethoxy-3-fluoro-biphenyl-4-yl)-6-...)
Show SMILES CCOc1ccccc1-c1ccc(c(F)c1)-c1nc2ccc(F)cc2c(NCCCC(O)=O)c1C#N
Show InChI InChI=1S/C28H23F2N3O3/c1-2-36-25-7-4-3-6-19(25)17-9-11-20(23(30)14-17)28-22(16-31)27(32-13-5-8-26(34)35)21-15-18(29)10-12-24(21)33-28/h3-4,6-7,9-12,14-15H,2,5,8,13H2,1H3,(H,32,33)(H,34,35)
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209512
PNG
((S)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluor...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(N[C@@H](C)C(O)=O)c1C#N
Show InChI InChI=1S/C27H22FN3O3/c1-3-34-24-7-5-4-6-20(24)17-8-10-18(11-9-17)25-22(15-29)26(30-16(2)27(32)33)21-14-19(28)12-13-23(21)31-25/h4-14,16H,3H2,1-2H3,(H,30,31)(H,32,33)/t16-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209513
PNG
(CHEMBL245788 | {[3-cyano-2-(2'-ethoxy-biphenyl-4-y...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(N(C)CC(O)=O)c1C#N
Show InChI InChI=1S/C27H22FN3O3/c1-3-34-24-7-5-4-6-20(24)17-8-10-18(11-9-17)26-22(15-29)27(31(2)16-25(32)33)21-14-19(28)12-13-23(21)30-26/h4-14H,3,16H2,1-2H3,(H,32,33)
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209544
PNG
(2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-qu...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(NC(CC)C(O)=O)c1C#N |w:26.28|
Show InChI InChI=1S/C28H24FN3O3/c1-3-23(28(33)34)31-27-21-15-19(29)13-14-24(21)32-26(22(27)16-30)18-11-9-17(10-12-18)20-7-5-6-8-25(20)35-4-2/h5-15,23H,3-4H2,1-2H3,(H,31,32)(H,33,34)
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209551
PNG
(2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-qu...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(NC(C)C(O)=O)c1C#N |w:26.29|
Show InChI InChI=1S/C27H22FN3O3/c1-3-34-24-7-5-4-6-20(24)17-8-10-18(11-9-17)25-22(15-29)26(30-16(2)27(32)33)21-14-19(28)12-13-23(21)31-25/h4-14,16H,3H2,1-2H3,(H,30,31)(H,32,33)
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209531
PNG
((R)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluor...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(N[C@H](C)C(O)=O)c1C#N
Show InChI InChI=1S/C27H22FN3O3/c1-3-34-24-7-5-4-6-20(24)17-8-10-18(11-9-17)25-22(15-29)26(30-16(2)27(32)33)21-14-19(28)12-13-23(21)31-25/h4-14,16H,3H2,1-2H3,(H,30,31)(H,32,33)/t16-/m1/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209533
PNG
((R)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-7-methy...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cc(C)ccc2c(N[C@H](C)C(O)=O)c1C#N
Show InChI InChI=1S/C28H25N3O3/c1-4-34-25-8-6-5-7-21(25)19-10-12-20(13-11-19)26-23(16-29)27(30-18(3)28(32)33)22-14-9-17(2)15-24(22)31-26/h5-15,18H,4H2,1-3H3,(H,30,31)(H,32,33)/t18-/m1/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209523
PNG
(CHEMBL247973 | [3-cyano-2-(2'-ethoxy-biphenyl-4-yl...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(NCC(O)=O)c1C#N
Show InChI InChI=1S/C26H20FN3O3/c1-2-33-23-6-4-3-5-19(23)16-7-9-17(10-8-16)25-21(14-28)26(29-15-24(31)32)20-13-18(27)11-12-22(20)30-25/h3-13H,2,15H2,1H3,(H,29,30)(H,31,32)
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n/an/a 7n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209542
PNG
(CHEMBL245984 | {[3-cyano-2-(2'-ethoxy-biphenyl-4-y...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(N(CC)CC(O)=O)c1C#N
Show InChI InChI=1S/C28H24FN3O3/c1-3-32(17-26(33)34)28-22-15-20(29)13-14-24(22)31-27(23(28)16-30)19-11-9-18(10-12-19)21-7-5-6-8-25(21)35-4-2/h5-15H,3-4,17H2,1-2H3,(H,33,34)
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n/an/a 7n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209532
PNG
(2-{[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-q...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(N(C)C(C)C(O)=O)c1C#N |w:27.30|
Show InChI InChI=1S/C28H24FN3O3/c1-4-35-25-8-6-5-7-21(25)18-9-11-19(12-10-18)26-23(16-30)27(32(3)17(2)28(33)34)22-15-20(29)13-14-24(22)31-26/h5-15,17H,4H2,1-3H3,(H,33,34)
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n/an/a 10n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209535
PNG
(1-[3-Cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-qu...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(NC2(CCCC2)C(O)=O)c1C#N
Show InChI InChI=1S/C30H26FN3O3/c1-2-37-26-8-4-3-7-22(26)19-9-11-20(12-10-19)27-24(18-32)28(23-17-21(31)13-14-25(23)33-27)34-30(29(35)36)15-5-6-16-30/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,33,34)(H,35,36)
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n/an/a 16n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209541
PNG
((R)-2-[6-chloro-3-cyano-2-(2'-ethoxy-biphenyl-4-yl...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(Cl)cc2c(N[C@H](C)C(O)=O)c1C#N
Show InChI InChI=1S/C27H22ClN3O3/c1-3-34-24-7-5-4-6-20(24)17-8-10-18(11-9-17)25-22(15-29)26(30-16(2)27(32)33)21-14-19(28)12-13-23(21)31-25/h4-14,16H,3H2,1-2H3,(H,30,31)(H,32,33)/t16-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209527
PNG
(4-[3-cyano-2-(2'-ethoxy-2-fluoro-biphenyl-4-yl)-6-...)
Show SMILES CCOc1ccccc1-c1ccc(cc1F)-c1nc2ccc(F)cc2c(NCCCC(O)=O)c1C#N
Show InChI InChI=1S/C28H23F2N3O3/c1-2-36-25-7-4-3-6-20(25)19-11-9-17(14-23(19)30)27-22(16-31)28(32-13-5-8-26(34)35)21-15-18(29)10-12-24(21)33-27/h3-4,6-7,9-12,14-15H,2,5,8,13H2,1H3,(H,32,33)(H,34,35)
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n/an/a 18n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209548
PNG
((R)-2-[7-chloro-3-cyano-2-(2'-ethoxy-biphenyl-4-yl...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cc(Cl)ccc2c(N[C@H](C)C(O)=O)c1C#N
Show InChI InChI=1S/C27H22ClN3O3/c1-3-34-24-7-5-4-6-20(24)17-8-10-18(11-9-17)25-22(15-29)26(30-16(2)27(32)33)21-13-12-19(28)14-23(21)31-25/h4-14,16H,3H2,1-2H3,(H,30,31)(H,32,33)/t16-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209529
PNG
((R)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluor...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(N[C@H](Cc2ccccc2)C(O)=O)c1C#N
Show InChI InChI=1S/C33H26FN3O3/c1-2-40-30-11-7-6-10-25(30)22-12-14-23(15-13-22)31-27(20-35)32(26-19-24(34)16-17-28(26)36-31)37-29(33(38)39)18-21-8-4-3-5-9-21/h3-17,19,29H,2,18H2,1H3,(H,36,37)(H,38,39)/t29-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209521
PNG
(3-[2-(2'-trifluoromethyl-biphenyl-4-yl)-quinolin-4...)
Show SMILES OC(=O)CCNc1cc(nc2ccccc12)-c1ccc(cc1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H19F3N2O2/c26-25(27,28)20-7-3-1-5-18(20)16-9-11-17(12-10-16)22-15-23(29-14-13-24(31)32)19-6-2-4-8-21(19)30-22/h1-12,15H,13-14H2,(H,29,30)(H,31,32)
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n/an/a 30n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200411
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)-5-methylpyrimidin-...)
Show SMILES CCc1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C28H33N3O3/c1-4-20-6-8-21(9-7-20)27-29-18-19(2)28(30-27)31(3)14-5-15-34-24-12-13-25-22(16-24)10-11-23(25)17-26(32)33/h6-9,12-13,16,18,23H,4-5,10-11,14-15,17H2,1-3H3,(H,32,33)/t23-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at human PPARdelta expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209516
PNG
(4-[3-cyano-2-(2'-ethoxy-2-methyl-biphenyl-4-yl)-6-...)
Show SMILES CCOc1ccccc1-c1ccc(cc1C)-c1nc2ccc(F)cc2c(NCCCC(O)=O)c1C#N
Show InChI InChI=1S/C29H26FN3O3/c1-3-36-26-8-5-4-7-22(26)21-12-10-19(15-18(21)2)28-24(17-31)29(32-14-6-9-27(34)35)23-16-20(30)11-13-25(23)33-28/h4-5,7-8,10-13,15-16H,3,6,9,14H2,1-2H3,(H,32,33)(H,34,35)
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n/an/a 34n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209550
PNG
(3-[2-(2'-ethoxy-biphenyl-4-yl)-quinolin-4-ylamino]...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1cc(NCCC(O)=O)c2ccccc2n1
Show InChI InChI=1S/C26H24N2O3/c1-2-31-25-10-6-4-7-20(25)18-11-13-19(14-12-18)23-17-24(27-16-15-26(29)30)21-8-3-5-9-22(21)28-23/h3-14,17H,2,15-16H2,1H3,(H,27,28)(H,29,30)
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n/an/a 35n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209518
PNG
(3-[2-(2'-ethyl-biphenyl-4-yl)-quinolin-4-ylamino]-...)
Show SMILES CCc1ccccc1-c1ccc(cc1)-c1cc(NCCC(O)=O)c2ccccc2n1
Show InChI InChI=1S/C26H24N2O2/c1-2-18-7-3-4-8-21(18)19-11-13-20(14-12-19)24-17-25(27-16-15-26(29)30)22-9-5-6-10-23(22)28-24/h3-14,17H,2,15-16H2,1H3,(H,27,28)(H,29,30)
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n/an/a 35n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209528
PNG
(3-[2-(2'-morpholin-4-ylmethyl-biphenyl-4-yl)-quino...)
Show SMILES OC(=O)CCNc1cc(nc2ccccc12)-c1ccc(cc1)-c1ccccc1CN1CCOCC1
Show InChI InChI=1S/C29H29N3O3/c33-29(34)13-14-30-28-19-27(31-26-8-4-3-7-25(26)28)22-11-9-21(10-12-22)24-6-2-1-5-23(24)20-32-15-17-35-18-16-32/h1-12,19H,13-18,20H2,(H,30,31)(H,33,34)
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n/an/a 45n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200403
PNG
((S)-2-(5-(3-((2-(4-isopropylphenyl)-5-methylpyrimi...)
Show SMILES CC(C)c1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C29H35N3O3/c1-19(2)21-6-8-22(9-7-21)28-30-18-20(3)29(31-28)32(4)14-5-15-35-25-12-13-26-23(16-25)10-11-24(26)17-27(33)34/h6-9,12-13,16,18-19,24H,5,10-11,14-15,17H2,1-4H3,(H,33,34)/t24-/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at human PPARdelta expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200402
PNG
(2-((S)-5-(3-(5-(5-acetyl-4-methylthiazol-2-yl)pyri...)
Show SMILES CC(=O)c1sc(nc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C25H26N2O5S/c1-15-24(16(2)28)33-25(27-15)19-6-9-22(26-14-19)32-11-3-10-31-20-7-8-21-17(12-20)4-5-18(21)13-23(29)30/h6-9,12,14,18H,3-5,10-11,13H2,1-2H3,(H,29,30)/t18-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at human PPARdelta expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50209512
PNG
((S)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluor...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(N[C@@H](C)C(O)=O)c1C#N
Show InChI InChI=1S/C27H22FN3O3/c1-3-34-24-7-5-4-6-20(24)17-8-10-18(11-9-17)25-22(15-29)26(30-16(2)27(32)33)21-14-19(28)12-13-23(21)31-25/h4-14,16H,3H2,1-2H3,(H,30,31)(H,32,33)/t16-/m0/s1
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n/an/a 66n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209546
PNG
((R)-2-[3-cyano-2-(2'-ethoxy-3-fluoro-biphenyl-4-yl...)
Show SMILES CCOc1ccccc1-c1ccc(c(F)c1)-c1nc2ccc(F)cc2c(N[C@H](C)C(O)=O)c1C#N
Show InChI InChI=1S/C27H21F2N3O3/c1-3-35-24-7-5-4-6-18(24)16-8-10-19(22(29)12-16)25-21(14-30)26(31-15(2)27(33)34)20-13-17(28)9-11-23(20)32-25/h4-13,15H,3H2,1-2H3,(H,31,32)(H,33,34)/t15-/m1/s1
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n/an/a 79n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209515
PNG
((R)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6,7-dif...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cc(F)c(F)cc2c(N[C@H](C)C(O)=O)c1C#N
Show InChI InChI=1S/C27H21F2N3O3/c1-3-35-24-7-5-4-6-18(24)16-8-10-17(11-9-16)25-20(14-30)26(31-15(2)27(33)34)19-12-21(28)22(29)13-23(19)32-25/h4-13,15H,3H2,1-2H3,(H,31,32)(H,33,34)/t15-/m1/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209537
PNG
(CHEMBL391364 | {[3-cyano-2-(2'-ethoxy-biphenyl-4-y...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(N(CC(O)=O)c2ccccc2)c1C#N
Show InChI InChI=1S/C32H24FN3O3/c1-2-39-29-11-7-6-10-25(29)21-12-14-22(15-13-21)31-27(19-34)32(26-18-23(33)16-17-28(26)35-31)36(20-30(37)38)24-8-4-3-5-9-24/h3-18H,2,20H2,1H3,(H,37,38)
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209530
PNG
(4-[3-cyano-2-(2'-ethoxy-3-methyl-biphenyl-4-yl)-6-...)
Show SMILES CCOc1ccccc1-c1ccc(c(C)c1)-c1nc2ccc(F)cc2c(NCCCC(O)=O)c1C#N
Show InChI InChI=1S/C29H26FN3O3/c1-3-36-26-8-5-4-7-22(26)19-10-12-21(18(2)15-19)29-24(17-31)28(32-14-6-9-27(34)35)23-16-20(30)11-13-25(23)33-29/h4-5,7-8,10-13,15-16H,3,6,9,14H2,1-2H3,(H,32,33)(H,34,35)
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n/an/a 120n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209520
PNG
(3-[2-(4'-methyl-biphenyl-4-yl)-quinolin-4-ylamino]...)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)-c1cc(NCCC(O)=O)c2ccccc2n1
Show InChI InChI=1S/C25H22N2O2/c1-17-6-8-18(9-7-17)19-10-12-20(13-11-19)23-16-24(26-15-14-25(28)29)21-4-2-3-5-22(21)27-23/h2-13,16H,14-15H2,1H3,(H,26,27)(H,28,29)
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n/an/a 140n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209540
PNG
((R)-2-[3-cyano-2-(2'-ethoxy-2-fluoro-biphenyl-4-yl...)
Show SMILES CCOc1ccccc1-c1ccc(cc1F)-c1nc2ccc(F)cc2c(N[C@H](C)C(O)=O)c1C#N
Show InChI InChI=1S/C27H21F2N3O3/c1-3-35-24-7-5-4-6-19(24)18-10-8-16(12-22(18)29)25-21(14-30)26(31-15(2)27(33)34)20-13-17(28)9-11-23(20)32-25/h4-13,15H,3H2,1-2H3,(H,31,32)(H,33,34)/t15-/m1/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50200411
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)-5-methylpyrimidin-...)
Show SMILES CCc1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C28H33N3O3/c1-4-20-6-8-21(9-7-20)27-29-18-19(2)28(30-27)31(3)14-5-15-34-24-12-13-25-22(16-24)10-11-23(25)17-26(32)33/h6-9,12-13,16,18,23H,4-5,10-11,14-15,17H2,1-3H3,(H,32,33)/t23-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at human PPARalpha expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50200403
PNG
((S)-2-(5-(3-((2-(4-isopropylphenyl)-5-methylpyrimi...)
Show SMILES CC(C)c1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C29H35N3O3/c1-19(2)21-6-8-22(9-7-21)28-30-18-20(3)29(31-28)32(4)14-5-15-35-25-12-13-26-23(16-25)10-11-24(26)17-27(33)34/h6-9,12-13,16,18-19,24H,5,10-11,14-15,17H2,1-4H3,(H,33,34)/t24-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at human PPARalpha expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50200411
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)-5-methylpyrimidin-...)
Show SMILES CCc1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C28H33N3O3/c1-4-20-6-8-21(9-7-20)27-29-18-19(2)28(30-27)31(3)14-5-15-34-24-12-13-25-22(16-24)10-11-23(25)17-26(32)33/h6-9,12-13,16,18,23H,4-5,10-11,14-15,17H2,1-3H3,(H,32,33)/t23-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at mouse PPARdelta expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209514
PNG
(3-methyl-2-(4-propylphenyl)quinoline-4-carboxylic ...)
Show SMILES CCCc1ccc(cc1)-c1nc2ccccc2c(C(O)=O)c1C
Show InChI InChI=1S/C20H19NO2/c1-3-6-14-9-11-15(12-10-14)19-13(2)18(20(22)23)16-7-4-5-8-17(16)21-19/h4-5,7-12H,3,6H2,1-2H3,(H,22,23)
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50200403
PNG
((S)-2-(5-(3-((2-(4-isopropylphenyl)-5-methylpyrimi...)
Show SMILES CC(C)c1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C29H35N3O3/c1-19(2)21-6-8-22(9-7-21)28-30-18-20(3)29(31-28)32(4)14-5-15-35-25-12-13-26-23(16-25)10-11-24(26)17-27(33)34/h6-9,12-13,16,18-19,24H,5,10-11,14-15,17H2,1-4H3,(H,33,34)/t24-/m0/s1
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Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at mouse PPARdelta expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50200411
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)-5-methylpyrimidin-...)
Show SMILES CCc1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C28H33N3O3/c1-4-20-6-8-21(9-7-20)27-29-18-19(2)28(30-27)31(3)14-5-15-34-24-12-13-25-22(16-24)10-11-23(25)17-26(32)33/h6-9,12-13,16,18,23H,4-5,10-11,14-15,17H2,1-3H3,(H,32,33)/t23-/m0/s1
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n/an/a 670n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at mouse PPARalpha expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209549
PNG
((R)-2-[3-cyano-2-(2'-ethoxy-2-methyl-biphenyl-4-yl...)
Show SMILES CCOc1ccccc1-c1ccc(cc1C)-c1nc2ccc(F)cc2c(N[C@H](C)C(O)=O)c1C#N
Show InChI InChI=1S/C28H24FN3O3/c1-4-35-25-8-6-5-7-21(25)20-11-9-18(13-16(20)2)26-23(15-30)27(31-17(3)28(33)34)22-14-19(29)10-12-24(22)32-26/h5-14,17H,4H2,1-3H3,(H,31,32)(H,33,34)/t17-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50200402
PNG
(2-((S)-5-(3-(5-(5-acetyl-4-methylthiazol-2-yl)pyri...)
Show SMILES CC(=O)c1sc(nc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C25H26N2O5S/c1-15-24(16(2)28)33-25(27-15)19-6-9-22(26-14-19)32-11-3-10-31-20-7-8-21-17(12-20)4-5-18(21)13-23(29)30/h6-9,12,14,18H,3-5,10-11,13H2,1-2H3,(H,29,30)/t18-/m0/s1
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n/an/a 1.39E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at mouse PPARdelta expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209534
PNG
((R)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-8-methy...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2c(C)cccc2c(N[C@H](C)C(O)=O)c1C#N
Show InChI InChI=1S/C28H25N3O3/c1-4-34-24-11-6-5-9-21(24)19-12-14-20(15-13-19)26-23(16-29)27(30-18(3)28(32)33)22-10-7-8-17(2)25(22)31-26/h5-15,18H,4H2,1-3H3,(H,30,31)(H,32,33)/t18-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50209531
PNG
((R)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluor...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(N[C@H](C)C(O)=O)c1C#N
Show InChI InChI=1S/C27H22FN3O3/c1-3-34-24-7-5-4-6-20(24)17-8-10-18(11-9-17)25-22(15-29)26(30-16(2)27(32)33)21-14-19(28)12-13-23(21)31-25/h4-14,16H,3H2,1-2H3,(H,30,31)(H,32,33)/t16-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50200403
PNG
((S)-2-(5-(3-((2-(4-isopropylphenyl)-5-methylpyrimi...)
Show SMILES CC(C)c1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C29H35N3O3/c1-19(2)21-6-8-22(9-7-21)28-30-18-20(3)29(31-28)32(4)14-5-15-35-25-12-13-26-23(16-25)10-11-24(26)17-27(33)34/h6-9,12-13,16,18-19,24H,5,10-11,14-15,17H2,1-4H3,(H,33,34)/t24-/m0/s1
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n/an/a 2.53E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at mouse PPARalpha expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
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