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11 similar compounds to monomer 173106

Compile data set for download or QSAR
Wt: 411.5
BDBM173101
Wt: 365.4
BDBM173103
Wt: 365.4
BDBM173102
Wt: 391.5
BDBM173104
Wt: 393.5
BDBM173105
Wt: 381.4
BDBM173107
Wt: 399.4
BDBM173108
Wt: 369.4
BDBM173097
Wt: 436.5
BDBM173098
Wt: 337.4
BDBM173099
Wt: 381.4
BDBM173100

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 173101,173103,173102,173104,173105,173107,173108,173097,173098,173099,173100   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM173097
PNG
(US9096589, 2-{2-[1-(2-Fluoro-ethyl)-4-thiophen-2-y...)
Show SMILES Cc1cc(C)n2cc(CCc3nc(cn3CCF)-c3cccs3)nc2n1
Show InChI InChI=1S/C19H20FN5S/c1-13-10-14(2)25-11-15(22-19(25)21-13)5-6-18-23-16(12-24(18)8-7-20)17-4-3-9-26-17/h3-4,9-12H,5-8H2,1-2H3
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US Patent
n/an/a 62n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9096589 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TTM
More data for this
Ligand-Target Pair
PED10A


(Homo sapiens (Human))
BDBM173108
PNG
(US9096589, 1-{2-[2-(5,7-Dimethyl-imidazo[1,2-a]pyr...)
Show SMILES Cc1cc(C)n2cc(CCc3nc(cn3CC(O)CF)-c3cccs3)nc2n1
Show InChI InChI=1/C20H22FN5OS/c1-13-8-14(2)26-10-15(23-20(26)22-13)5-6-19-24-17(18-4-3-7-28-18)12-25(19)11-16(27)9-21/h3-4,7-8,10,12,16,27H,5-6,9,11H2,1-2H3
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US Patent
n/an/a 14n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...


US Patent US9669029 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2M4J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM173099
PNG
(US9096589, 5,7-Dimethyl-2-[2-(1-methyl-4-thiophen-...)
Show SMILES Cc1cc(C)n2cc(CCc3nc(cn3C)-c3cccs3)nc2n1
Show InChI InChI=1S/C18H19N5S/c1-12-9-13(2)23-10-14(20-18(23)19-12)6-7-17-21-15(11-22(17)3)16-5-4-8-24-16/h4-5,8-11H,6-7H2,1-3H3
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n/an/a 45n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9096589 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TTM
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM173100
PNG
(US9096589, (S)-2-{2-[2-(5,7-Dimethyl-imidazo[1,2-a...)
Show SMILES C[C@@H](CO)n1cc(nc1CCc1cn2c(C)cc(C)nc2n1)-c1cccs1
Show InChI InChI=1S/C20H23N5OS/c1-13-9-14(2)25-10-16(22-20(25)21-13)6-7-19-23-17(18-5-4-8-27-18)11-24(19)15(3)12-26/h4-5,8-11,15,26H,6-7,12H2,1-3H3/t15-/m0/s1
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n/an/a 8.80n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9096589 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TTM
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM173101
PNG
(US9096589, 1-{2-[2-(5,7-Dimethyl-imidazo[1,2-a]pyr...)
Show SMILES COCC(O)Cn1cc(nc1CCc1cn2c(C)cc(C)nc2n1)-c1cccs1
Show InChI InChI=1/C21H25N5O2S/c1-14-9-15(2)26-10-16(23-21(26)22-14)6-7-20-24-18(19-5-4-8-29-19)12-25(20)11-17(27)13-28-3/h4-5,8-10,12,17,27H,6-7,11,13H2,1-3H3
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n/an/a 7.90n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9096589 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TTM
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM173102
PNG
(US9096589, 5,7-Dimethyl-2-[2-(1-propyl-4-thiophen-...)
Show SMILES CCCn1cc(nc1CCc1cn2c(C)cc(C)nc2n1)-c1cccs1
Show InChI InChI=1S/C20H23N5S/c1-4-9-24-13-17(18-6-5-10-26-18)23-19(24)8-7-16-12-25-15(3)11-14(2)21-20(25)22-16/h5-6,10-13H,4,7-9H2,1-3H3
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n/an/a 3.40n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9096589 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TTM
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM173103
PNG
(US9096589, 2-[2-(1-Isopropyl-4-thiophen-2-yl-1H-im...)
Show SMILES CC(C)n1cc(nc1CCc1cn2c(C)cc(C)nc2n1)-c1cccs1
Show InChI InChI=1S/C20H23N5S/c1-13(2)24-12-17(18-6-5-9-26-18)23-19(24)8-7-16-11-25-15(4)10-14(3)21-20(25)22-16/h5-6,9-13H,7-8H2,1-4H3
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n/an/a 160n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9096589 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TTM
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM173104
PNG
(US9096589, 2-[2-(1-Cyclopentyl-4-thiophen-2-yl-1H-...)
Show SMILES Cc1cc(C)n2cc(CCc3nc(cn3C3CCCC3)-c3cccs3)nc2n1
Show InChI InChI=1S/C22H25N5S/c1-15-12-16(2)26-13-17(24-22(26)23-15)9-10-21-25-19(20-8-5-11-28-20)14-27(21)18-6-3-4-7-18/h5,8,11-14,18H,3-4,6-7,9-10H2,1-2H3
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n/an/a 46n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9096589 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TTM
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM173105
PNG
(US9096589, 5,7-Dimethyl-2-{2-[1-(3-methyl-butyl)-4...)
Show SMILES CC(C)CCn1cc(nc1CCc1cn2c(C)cc(C)nc2n1)-c1cccs1
Show InChI InChI=1S/C22H27N5S/c1-15(2)9-10-26-14-19(20-6-5-11-28-20)25-21(26)8-7-18-13-27-17(4)12-16(3)23-22(27)24-18/h5-6,11-15H,7-10H2,1-4H3
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n/an/a 6.80n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9096589 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TTM
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM173107
PNG
(US9096589, 2-{2-[1-(2-Methoxy-ethyl)-4-thiophen-2-...)
Show SMILES COCCn1cc(nc1CCc1cn2c(C)cc(C)nc2n1)-c1cccs1
Show InChI InChI=1S/C20H23N5OS/c1-14-11-15(2)25-12-16(22-20(25)21-14)6-7-19-23-17(18-5-4-10-27-18)13-24(19)8-9-26-3/h4-5,10-13H,6-9H2,1-3H3
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n/an/a 130n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9096589 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TTM
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM173108
PNG
(US9096589, 1-{2-[2-(5,7-Dimethyl-imidazo[1,2-a]pyr...)
Show SMILES Cc1cc(C)n2cc(CCc3nc(cn3CC(O)CF)-c3cccs3)nc2n1
Show InChI InChI=1/C20H22FN5OS/c1-13-8-14(2)26-10-15(23-20(26)22-13)5-6-19-24-17(18-4-3-7-28-18)12-25(19)11-16(27)9-21/h3-4,7-8,10,12,16,27H,5-6,9,11H2,1-2H3
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n/an/a 14n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9096589 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TTM
More data for this
Ligand-Target Pair
PED10A


(Homo sapiens (Human))
BDBM173097
PNG
(US9096589, 2-{2-[1-(2-Fluoro-ethyl)-4-thiophen-2-y...)
Show SMILES Cc1cc(C)n2cc(CCc3nc(cn3CCF)-c3cccs3)nc2n1
Show InChI InChI=1S/C19H20FN5S/c1-13-10-14(2)25-11-15(22-19(25)21-13)5-6-18-23-16(12-24(18)8-7-20)17-4-3-9-26-17/h3-4,9-12H,5-8H2,1-2H3
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US Patent
n/an/a 62n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...


US Patent US9669029 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2M4J
More data for this
Ligand-Target Pair
PED10A


(Homo sapiens (Human))
BDBM173098
PNG
(US9096589, 5,7-Dimethyl-2-{2-[1-(2-morpholin-4-yl-...)
Show SMILES Cc1cc(C)n2cc(CCc3nc(cn3CCN3CCOCC3)-c3cccs3)nc2n1
Show InChI InChI=1S/C23H28N6OS/c1-17-14-18(2)29-15-19(25-23(29)24-17)5-6-22-26-20(21-4-3-13-31-21)16-28(22)8-7-27-9-11-30-12-10-27/h3-4,13-16H,5-12H2,1-2H3
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US Patent
n/an/a 36n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...


US Patent US9669029 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2M4J
More data for this
Ligand-Target Pair
PED10A


(Homo sapiens (Human))
BDBM173099
PNG
(US9096589, 5,7-Dimethyl-2-[2-(1-methyl-4-thiophen-...)
Show SMILES Cc1cc(C)n2cc(CCc3nc(cn3C)-c3cccs3)nc2n1
Show InChI InChI=1S/C18H19N5S/c1-12-9-13(2)23-10-14(20-18(23)19-12)6-7-17-21-15(11-22(17)3)16-5-4-8-24-16/h4-5,8-11H,6-7H2,1-3H3
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US Patent
n/an/a 45n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...


US Patent US9669029 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2M4J
More data for this
Ligand-Target Pair
PED10A


(Homo sapiens (Human))
BDBM173100
PNG
(US9096589, (S)-2-{2-[2-(5,7-Dimethyl-imidazo[1,2-a...)
Show SMILES C[C@@H](CO)n1cc(nc1CCc1cn2c(C)cc(C)nc2n1)-c1cccs1
Show InChI InChI=1S/C20H23N5OS/c1-13-9-14(2)25-10-16(22-20(25)21-13)6-7-19-23-17(18-5-4-8-27-18)11-24(19)15(3)12-26/h4-5,8-11,15,26H,6-7,12H2,1-3H3/t15-/m0/s1
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US Patent
n/an/a 8.80n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...


US Patent US9669029 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2M4J
More data for this
Ligand-Target Pair
PED10A


(Homo sapiens (Human))
BDBM173102
PNG
(US9096589, 5,7-Dimethyl-2-[2-(1-propyl-4-thiophen-...)
Show SMILES CCCn1cc(nc1CCc1cn2c(C)cc(C)nc2n1)-c1cccs1
Show InChI InChI=1S/C20H23N5S/c1-4-9-24-13-17(18-6-5-10-26-18)23-19(24)8-7-16-12-25-15(3)11-14(2)21-20(25)22-16/h5-6,10-13H,4,7-9H2,1-3H3
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US Patent
n/an/a 3.40n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...


US Patent US9669029 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2M4J
More data for this
Ligand-Target Pair
PED10A


(Homo sapiens (Human))
BDBM173103
PNG
(US9096589, 2-[2-(1-Isopropyl-4-thiophen-2-yl-1H-im...)
Show SMILES CC(C)n1cc(nc1CCc1cn2c(C)cc(C)nc2n1)-c1cccs1
Show InChI InChI=1S/C20H23N5S/c1-13(2)24-12-17(18-6-5-9-26-18)23-19(24)8-7-16-11-25-15(4)10-14(3)21-20(25)22-16/h5-6,9-13H,7-8H2,1-4H3
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US Patent
n/an/a 160n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...


US Patent US9669029 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2M4J
More data for this
Ligand-Target Pair
PED10A


(Homo sapiens (Human))
BDBM173105
PNG
(US9096589, 5,7-Dimethyl-2-{2-[1-(3-methyl-butyl)-4...)
Show SMILES CC(C)CCn1cc(nc1CCc1cn2c(C)cc(C)nc2n1)-c1cccs1
Show InChI InChI=1S/C22H27N5S/c1-15(2)9-10-26-14-19(20-6-5-11-28-20)25-21(26)8-7-18-13-27-17(4)12-16(3)23-22(27)24-18/h5-6,11-15H,7-10H2,1-4H3
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US Patent
n/an/a 6.80n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...


US Patent US9669029 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2M4J
More data for this
Ligand-Target Pair
PED10A


(Homo sapiens (Human))
BDBM173107
PNG
(US9096589, 2-{2-[1-(2-Methoxy-ethyl)-4-thiophen-2-...)
Show SMILES COCCn1cc(nc1CCc1cn2c(C)cc(C)nc2n1)-c1cccs1
Show InChI InChI=1S/C20H23N5OS/c1-14-11-15(2)25-12-16(22-20(25)21-14)6-7-19-23-17(18-5-4-10-27-18)13-24(19)8-9-26-3/h4-5,10-13H,6-9H2,1-3H3
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US Patent
n/an/a 130n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...


US Patent US9669029 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2M4J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM173098
PNG
(US9096589, 5,7-Dimethyl-2-{2-[1-(2-morpholin-4-yl-...)
Show SMILES Cc1cc(C)n2cc(CCc3nc(cn3CCN3CCOCC3)-c3cccs3)nc2n1
Show InChI InChI=1S/C23H28N6OS/c1-17-14-18(2)29-15-19(25-23(29)24-17)5-6-22-26-20(21-4-3-13-31-21)16-28(22)8-7-27-9-11-30-12-10-27/h3-4,13-16H,5-12H2,1-2H3
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n/an/a 36n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9096589 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TTM
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