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Compile Data Set for Download or QSAR

Found 142 hits Enz. Inhib. hit(s) with all data for entry = 7669   
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))
BDBM209756
PNG
(US9273033, 56)
Show SMILES COc1cc(cn(C)c1=O)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc2ccccc2n1 |r|
Show InChI InChI=1S/C25H24N4O3/c1-15-26-12-20(17-11-23(31-3)25(30)29(2)13-17)24(27-15)32-14-18-10-19(18)22-9-8-16-6-4-5-7-21(16)28-22/h4-9,11-13,18-19H,10,14H2,1-3H3/t18-,19+/m1/s1
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0.00400 -65.1n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209736
PNG
(US9273033, 34)
Show SMILES Cc1ncc(c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1)-c1ccc(=O)n(C)c1C |r|
Show InChI InChI=1S/C25H24N4O2/c1-15-19(9-11-24(30)29(15)3)21-13-26-16(2)27-25(21)31-14-18-12-20(18)23-10-8-17-6-4-5-7-22(17)28-23/h4-11,13,18,20H,12,14H2,1-3H3/t18-,20+/m1/s1
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0.00600 -64.1n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209781
PNG
(US9273033, 81)
Show SMILES Cc1ncc(c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1)-c1cc(=O)[nH]cc1C |r|
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0.0110 -62.5n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209800
PNG
(US9273033, 100)
Show SMILES COCCn1ccc(cc1=O)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc2ccccc2n1 |r|
Show InChI InChI=1S/C26H26N4O3/c1-17-27-15-22(19-9-10-30(11-12-32-2)25(31)14-19)26(28-17)33-16-20-13-21(20)24-8-7-18-5-3-4-6-23(18)29-24/h3-10,14-15,20-21H,11-13,16H2,1-2H3/t20-,21+/m1/s1
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0.0120 -62.3n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209711
PNG
(US9273033, 9)
Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc2ccccc2n1 |r|
Show InChI InChI=1S/C26H26N4O2/c1-16(2)30-14-19(9-11-25(30)31)22-13-27-17(3)28-26(22)32-15-20-12-21(20)24-10-8-18-6-4-5-7-23(18)29-24/h4-11,13-14,16,20-21H,12,15H2,1-3H3/t20-,21+/m1/s1
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0.0140 -62.0n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209796
PNG
(US9273033, 96)
Show SMILES CCn1ccc(cc1=O)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc2ccccc2n1 |r|
Show InChI InChI=1S/C25H24N4O2/c1-3-29-11-10-18(13-24(29)30)21-14-26-16(2)27-25(21)31-15-19-12-20(19)23-9-8-17-6-4-5-7-22(17)28-23/h4-11,13-14,19-20H,3,12,15H2,1-2H3/t19-,20+/m1/s1
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0.0210 -60.9n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209734
PNG
(US9273033, 32)
Show SMILES CCn1cc(ccc1=O)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc2ccccc2n1 |r|
Show InChI InChI=1S/C25H24N4O2/c1-3-29-14-18(9-11-24(29)30)21-13-26-16(2)27-25(21)31-15-19-12-20(19)23-10-8-17-6-4-5-7-22(17)28-23/h4-11,13-14,19-20H,3,12,15H2,1-2H3/t19-,20+/m1/s1
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0.0240 -60.6n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209779
PNG
(US9273033, 79)
Show SMILES Cc1ncc(-c2ccn(C)c(=O)c2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1 |r|
Show InChI InChI=1S/C24H22N4O2/c1-15-25-13-20(17-9-10-28(2)23(29)12-17)24(26-15)30-14-18-11-19(18)22-8-7-16-5-3-4-6-21(16)27-22/h3-10,12-13,18-19H,11,14H2,1-2H3/t18-,19+/m1/s1
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0.0300 -60.1n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209829
PNG
(US9273033, 131)
Show SMILES Cc1ncc(c(OC[C@H]2C[C@@H]2c2ccc3CCCc3n2)n1)-c1cc(=O)n(C)cc1C |r|
Show InChI InChI=1S/C24H26N4O2/c1-14-12-28(3)23(29)10-18(14)20-11-25-15(2)26-24(20)30-13-17-9-19(17)22-8-7-16-5-4-6-21(16)27-22/h7-8,10-12,17,19H,4-6,9,13H2,1-3H3/t17-,19+/m1/s1
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0.0330 -59.8n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209776
PNG
(US9273033, 76)
Show SMILES Cc1ncc(c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1)-c1cc(=O)n(C)cc1C |r|
Show InChI InChI=1S/C25H24N4O2/c1-15-13-29(3)24(30)11-19(15)21-12-26-16(2)27-25(21)31-14-18-10-20(18)23-9-8-17-6-4-5-7-22(17)28-23/h4-9,11-13,18,20H,10,14H2,1-3H3/t18-,20+/m1/s1
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0.0350 -59.7n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209802
PNG
(US9273033, 102)
Show SMILES Cc1ncc(c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1)-c1cc(=O)n(C)cc1Cl |r|
Show InChI InChI=1S/C24H21ClN4O2/c1-14-26-11-19(18-10-23(30)29(2)12-20(18)25)24(27-14)31-13-16-9-17(16)22-8-7-15-5-3-4-6-21(15)28-22/h3-8,10-12,16-17H,9,13H2,1-2H3/t16-,17+/m1/s1
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0.0400 -59.3n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209797
PNG
(US9273033, 97)
Show SMILES Cc1ncc(-c2cc(C)n(C)c(=O)c2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1 |r|
Show InChI InChI=1S/C25H24N4O2/c1-15-10-18(12-24(30)29(15)3)21-13-26-16(2)27-25(21)31-14-19-11-20(19)23-9-8-17-6-4-5-7-22(17)28-23/h4-10,12-13,19-20H,11,14H2,1-3H3/t19-,20+/m1/s1
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0.0410 -59.3n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209728
PNG
(US9273033, 26)
Show SMILES Cc1ncc(c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1)-c1cc(F)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C24H21FN4O2/c1-14-26-11-19(16-10-20(25)24(30)29(2)12-16)23(27-14)31-13-17-9-18(17)22-8-7-15-5-3-4-6-21(15)28-22/h3-8,10-12,17-18H,9,13H2,1-2H3/t17-,18+/m1/s1
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0.0410 -59.3n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209754
PNG
(US9273033, 54)
Show SMILES COc1cc(cn(C)c1=O)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc2CCCc2n1 |r|
Show InChI InChI=1S/C24H26N4O3/c1-14-25-11-19(16-10-22(30-3)24(29)28(2)12-16)23(26-14)31-13-17-9-18(17)21-8-7-15-5-4-6-20(15)27-21/h7-8,10-12,17-18H,4-6,9,13H2,1-3H3/t17-,18+/m1/s1
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0.0450 -59.1n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209738
PNG
(US9273033, 36)
Show SMILES CCn1c(C)c(ccc1=O)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc2ccccc2n1 |r|
Show InChI InChI=1S/C26H26N4O2/c1-4-30-16(2)20(10-12-25(30)31)22-14-27-17(3)28-26(22)32-15-19-13-21(19)24-11-9-18-7-5-6-8-23(18)29-24/h5-12,14,19,21H,4,13,15H2,1-3H3/t19-,21+/m1/s1
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0.0450 -59.1n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209733
PNG
(US9273033, 31)
Show SMILES COCCn1c(C)c(ccc1=O)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc2ccccc2n1 |r|
Show InChI InChI=1S/C27H28N4O3/c1-17-21(9-11-26(32)31(17)12-13-33-3)23-15-28-18(2)29-27(23)34-16-20-14-22(20)25-10-8-19-6-4-5-7-24(19)30-25/h4-11,15,20,22H,12-14,16H2,1-3H3/t20-,22+/m1/s1
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0.0450 -59.1n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209713
PNG
(US9273033, 11)
Show SMILES Cc1ncc(c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1)-c1ccc(=O)n(c1)C(F)F |r|
Show InChI InChI=1S/C24H20F2N4O2/c1-14-27-11-19(16-7-9-22(31)30(12-16)24(25)26)23(28-14)32-13-17-10-18(17)21-8-6-15-4-2-3-5-20(15)29-21/h2-9,11-12,17-18,24H,10,13H2,1H3/t17-,18+/m1/s1
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0.0480 -58.9n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209731
PNG
(US9273033, 29)
Show SMILES Cc1ncc(-c2ccc(=O)n(C)c2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1 |r|
Show InChI InChI=1S/C24H22N4O2/c1-15-25-12-20(17-8-10-23(29)28(2)13-17)24(26-15)30-14-18-11-19(18)22-9-7-16-5-3-4-6-21(16)27-22/h3-10,12-13,18-19H,11,14H2,1-2H3/t18-,19+/m1/s1
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0.0520 -58.7n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209714
PNG
(US9273033, 12)
Show SMILES COn1cc(ccc1=O)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc2ccccc2n1 |r|
Show InChI InChI=1S/C24H22N4O3/c1-15-25-12-20(17-8-10-23(29)28(13-17)30-2)24(26-15)31-14-18-11-19(18)22-9-7-16-5-3-4-6-21(16)27-22/h3-10,12-13,18-19H,11,14H2,1-2H3/t18-,19+/m1/s1
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0.0530 -58.7n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209729
PNG
(US9273033, 27)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1ccc(=O)n(C)c1C |r|
Show InChI InChI=1S/C22H24N4O3/c1-13-17(6-8-21(27)26(13)3)19-11-23-14(2)25-22(19)29-12-15-9-18(15)20-7-5-16(28-4)10-24-20/h5-8,10-11,15,18H,9,12H2,1-4H3/t15-,18+/m1/s1
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0.113 -56.8n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209760
PNG
(US9273033, 60)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1cc(C#N)c(=O)n(C)c1C |r|
Show InChI InChI=1S/C23H23N5O3/c1-13-18(7-15(9-24)23(29)28(13)3)20-11-25-14(2)27-22(20)31-12-16-8-19(16)21-6-5-17(30-4)10-26-21/h5-7,10-11,16,19H,8,12H2,1-4H3/t16-,19+/m1/s1
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0.117 -56.7n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209719
PNG
(US9273033, 17)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1cc(OC)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C22H24N4O4/c1-13-23-10-18(14-8-20(29-4)22(27)26(2)11-14)21(25-13)30-12-15-7-17(15)19-6-5-16(28-3)9-24-19/h5-6,8-11,15,17H,7,12H2,1-4H3/t15-,17+/m1/s1
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0.151 -56.1n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209718
PNG
(US9273033, 16)
Show SMILES CCc1cc(cn(C)c1=O)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc(OC)cn1 |r|
Show InChI InChI=1S/C23H26N4O3/c1-5-15-8-16(12-27(3)23(15)28)20-11-24-14(2)26-22(20)30-13-17-9-19(17)21-7-6-18(29-4)10-25-21/h6-8,10-12,17,19H,5,9,13H2,1-4H3/t17-,19+/m1/s1
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0.185 -55.6n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209712
PNG
(US9273033, 10)
Show SMILES Cc1ncc(-c2ccc(=O)n(c2)-c2ccccc2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1 |r|
Show InChI InChI=1S/C29H24N4O2/c1-19-30-16-25(21-12-14-28(34)33(17-21)23-8-3-2-4-9-23)29(31-19)35-18-22-15-24(22)27-13-11-20-7-5-6-10-26(20)32-27/h2-14,16-17,22,24H,15,18H2,1H3/t22-,24+/m1/s1
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0.216 -55.2n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209705
PNG
(US9273033, 3)
Show SMILES Cc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1ccc(=O)n(C)c1C |r|
Show InChI InChI=1S/C22H24N4O2/c1-13-5-7-20(24-10-13)18-9-16(18)12-28-22-19(11-23-15(3)25-22)17-6-8-21(27)26(4)14(17)2/h5-8,10-11,16,18H,9,12H2,1-4H3/t16-,18+/m1/s1
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0.217 -55.2n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209838
PNG
(US9273033, 140)
Show SMILES Cc1ncc(c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1)-c1cc(=O)n(C)cn1 |r|
Show InChI InChI=1S/C23H21N5O2/c1-14-24-11-18(21-10-22(29)28(2)13-25-21)23(26-14)30-12-16-9-17(16)20-8-7-15-5-3-4-6-19(15)27-20/h3-8,10-11,13,16-17H,9,12H2,1-2H3/t16-,17+/m1/s1
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0.228 -55.0n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209824
PNG
(US9273033, 124)
Show SMILES COC(=O)Cn1ccc(cc1=O)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc(OC)cn1 |r|
Show InChI InChI=1S/C23H24N4O5/c1-14-24-11-19(15-6-7-27(21(28)9-15)12-22(29)31-3)23(26-14)32-13-16-8-18(16)20-5-4-17(30-2)10-25-20/h4-7,9-11,16,18H,8,12-13H2,1-3H3/t16-,18+/m1/s1
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0.284 -54.5n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209821
PNG
(US9273033, 121)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1ccn(CC(F)(F)F)c(=O)c1 |r|
Show InChI InChI=1S/C22H21F3N4O3/c1-13-26-10-18(14-5-6-29(20(30)8-14)12-22(23,24)25)21(28-13)32-11-15-7-17(15)19-4-3-16(31-2)9-27-19/h3-6,8-10,15,17H,7,11-12H2,1-2H3/t15-,17+/m1/s1
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0.299 -54.4n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209755
PNG
(US9273033, 55)
Show SMILES CCc1cc(cn(C)c1=O)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc(C)cn1 |r|
Show InChI InChI=1S/C23H26N4O2/c1-5-16-8-17(12-27(4)23(16)28)20-11-24-15(3)26-22(20)29-13-18-9-19(18)21-7-6-14(2)10-25-21/h6-8,10-12,18-19H,5,9,13H2,1-4H3/t18-,19+/m1/s1
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0.347 -54.0n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209757
PNG
(US9273033, 57)
Show SMILES COc1cc(cn(C)c1=O)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc(C)cn1 |r|
Show InChI InChI=1S/C22H24N4O3/c1-13-5-6-19(24-9-13)17-7-16(17)12-29-21-18(10-23-14(2)25-21)15-8-20(28-4)22(27)26(3)11-15/h5-6,8-11,16-17H,7,12H2,1-4H3/t16-,17+/m1/s1
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0.349 -54.0n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209753
PNG
(US9273033, 53)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1ccc(=O)n(CC2CC2)c1 |r|
Show InChI InChI=1S/C24H26N4O3/c1-15-25-11-21(17-5-8-23(29)28(13-17)12-16-3-4-16)24(27-15)31-14-18-9-20(18)22-7-6-19(30-2)10-26-22/h5-8,10-11,13,16,18,20H,3-4,9,12,14H2,1-2H3/t18-,20+/m1/s1
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0.377 -53.8n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209814
PNG
(US9273033, 114)
Show SMILES Cc1ncc(c(OC[C@H]2C[C@@H]2c2ccc3CCCc3n2)n1)-c1ccn(C)c(=O)c1 |r|
Show InChI InChI=1S/C23H24N4O2/c1-14-24-12-19(16-8-9-27(2)22(28)11-16)23(25-14)29-13-17-10-18(17)21-7-6-15-4-3-5-20(15)26-21/h6-9,11-12,17-18H,3-5,10,13H2,1-2H3/t17-,18+/m1/s1
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0.378 -53.8n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209737
PNG
(US9273033, 35)
Show SMILES CCn1cc(cc(C)c1=O)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc(OC)cn1 |r|
Show InChI InChI=1S/C23H26N4O3/c1-5-27-12-16(8-14(2)23(27)28)20-11-24-15(3)26-22(20)30-13-17-9-19(17)21-7-6-18(29-4)10-25-21/h6-8,10-12,17,19H,5,9,13H2,1-4H3/t17-,19+/m1/s1
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0.381 -53.8n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209828
PNG
(US9273033, 130)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1ccn(CC(F)F)c(=O)c1 |r|
Show InChI InChI=1S/C22H22F2N4O3/c1-13-25-10-18(14-5-6-28(11-20(23)24)21(29)8-14)22(27-13)31-12-15-7-17(15)19-4-3-16(30-2)9-26-19/h3-6,8-10,15,17,20H,7,11-12H2,1-2H3/t15-,17+/m1/s1
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0.386 -53.7n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209783
PNG
(US9273033, 83)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1cc(=O)[nH]cc1Cl |r|
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0.390 -53.7n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209827
PNG
(US9273033, 129)
Show SMILES COC(=O)Cn1ccc(cc1=O)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc(C)cn1 |r|
Show InChI InChI=1S/C23H24N4O4/c1-14-4-5-20(25-10-14)18-8-17(18)13-31-23-19(11-24-15(2)26-23)16-6-7-27(21(28)9-16)12-22(29)30-3/h4-7,9-11,17-18H,8,12-13H2,1-3H3/t17-,18+/m1/s1
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0.394 -53.7n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209785
PNG
(US9273033, 101 | US9273033, 85)
Show SMILES COCCn1ccc(cc1=O)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc(C)cn1 |r|
Show InChI InChI=1S/C23H26N4O3/c1-15-4-5-21(25-12-15)19-10-18(19)14-30-23-20(13-24-16(2)26-23)17-6-7-27(8-9-29-3)22(28)11-17/h4-7,11-13,18-19H,8-10,14H2,1-3H3/t18-,19+/m1/s1
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0.400 -53.6n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209742
PNG
(US9273033, 40)
Show SMILES Cc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C22H24N4O2/c1-13-5-6-20(24-9-13)18-8-17(18)12-28-21-19(10-23-15(3)25-21)16-7-14(2)22(27)26(4)11-16/h5-7,9-11,17-18H,8,12H2,1-4H3/t17-,18+/m1/s1
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0.409 -53.6n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209759
PNG
(US9273033, 59)
Show SMILES Cc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1cc(C#N)c(=O)n(C)c1C |r|
Show InChI InChI=1S/C23H23N5O2/c1-13-5-6-21(26-10-13)19-8-17(19)12-30-22-20(11-25-15(3)27-22)18-7-16(9-24)23(29)28(4)14(18)2/h5-7,10-11,17,19H,8,12H2,1-4H3/t17-,19+/m1/s1
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0.426 -53.5n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209785
PNG
(US9273033, 101 | US9273033, 85)
Show SMILES COCCn1ccc(cc1=O)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc(C)cn1 |r|
Show InChI InChI=1S/C23H26N4O3/c1-15-4-5-21(25-12-15)19-10-18(19)14-30-23-20(13-24-16(2)26-23)17-6-7-27(8-9-29-3)22(28)11-17/h4-7,11-13,18-19H,8-10,14H2,1-3H3/t18-,19+/m1/s1
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0.439 -53.4n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209811
PNG
(US9273033, 111)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1ccn(CC#N)c(=O)c1 |r|
Show InChI InChI=1S/C22H21N5O3/c1-14-24-12-19(15-5-7-27(8-6-23)21(28)10-15)22(26-14)30-13-16-9-18(16)20-4-3-17(29-2)11-25-20/h3-5,7,10-12,16,18H,8-9,13H2,1-2H3/t16-,18+/m1/s1
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0.441 -53.4n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209822
PNG
(US9273033, 122)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1ccn(CC=C)c(=O)c1 |r|
Show InChI InChI=1S/C23H24N4O3/c1-4-8-27-9-7-16(11-22(27)28)20-13-24-15(2)26-23(20)30-14-17-10-19(17)21-6-5-18(29-3)12-25-21/h4-7,9,11-13,17,19H,1,8,10,14H2,2-3H3/t17-,19+/m1/s1
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0.458 -53.3n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209758
PNG
(US9273033, 58)
Show SMILES Cc1ncc(c(OC[C@H]2C[C@@H]2c2ccc3CCCc3n2)n1)-c1ccc(=O)n(C)c1C |r|
Show InChI InChI=1S/C24H26N4O2/c1-14-18(8-10-23(29)28(14)3)20-12-25-15(2)26-24(20)30-13-17-11-19(17)22-9-7-16-5-4-6-21(16)27-22/h7-10,12,17,19H,4-6,11,13H2,1-3H3/t17-,19+/m1/s1
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0.481 -53.2n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209782
PNG
(US9273033, 82)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1cc(=O)n(C)cc1C |r|
Show InChI InChI=1S/C22H24N4O3/c1-13-11-26(3)21(27)8-17(13)19-10-23-14(2)25-22(19)29-12-15-7-18(15)20-6-5-16(28-4)9-24-20/h5-6,8-11,15,18H,7,12H2,1-4H3/t15-,18+/m1/s1
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0.496 -53.1n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209823
PNG
(US9273033, 123)
Show SMILES Cc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1ccn(CC=C)c(=O)c1 |r|
Show InChI InChI=1S/C23H24N4O2/c1-4-8-27-9-7-17(11-22(27)28)20-13-24-16(3)26-23(20)29-14-18-10-19(18)21-6-5-15(2)12-25-21/h4-7,9,11-13,18-19H,1,8,10,14H2,2-3H3/t18-,19+/m1/s1
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0.508 -53.0n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209725
PNG
(US9273033, 23)
Show SMILES Cc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1ccc(=O)n(c1)C1CC1 |r|
Show InChI InChI=1S/C23H24N4O2/c1-14-3-7-21(25-10-14)19-9-17(19)13-29-23-20(11-24-15(2)26-23)16-4-8-22(28)27(12-16)18-5-6-18/h3-4,7-8,10-12,17-19H,5-6,9,13H2,1-2H3/t17-,19+/m1/s1
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0.519 -53.0n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209744
PNG
(US9273033, 42)
Show SMILES Cc1ncc(c(OC[C@H]2C[C@@H]2c2ccc3CCCc3n2)n1)-c1ccc(=O)n(C)c1 |r|
Show InChI InChI=1S/C23H24N4O2/c1-14-24-11-19(16-7-9-22(28)27(2)12-16)23(25-14)29-13-17-10-18(17)21-8-6-15-4-3-5-20(15)26-21/h6-9,11-12,17-18H,3-5,10,13H2,1-2H3/t17-,18+/m1/s1
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0.531 -52.9n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209743
PNG
(US9273033, 41)
Show SMILES CCn1cc(cc(C)c1=O)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc(C)cn1 |r|
Show InChI InChI=1S/C23H26N4O2/c1-5-27-12-17(8-15(3)23(27)28)20-11-24-16(4)26-22(20)29-13-18-9-19(18)21-7-6-14(2)10-25-21/h6-8,10-12,18-19H,5,9,13H2,1-4H3/t18-,19+/m1/s1
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0.533 -52.9n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209818
PNG
(US9273033, 118)
Show SMILES COCCn1ccc(cc1=O)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc(OC)cn1 |r|
Show InChI InChI=1S/C23H26N4O4/c1-15-24-13-20(16-6-7-27(8-9-29-2)22(28)11-16)23(26-15)31-14-17-10-19(17)21-5-4-18(30-3)12-25-21/h4-7,11-13,17,19H,8-10,14H2,1-3H3/t17-,19+/m1/s1
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0.553 -52.8n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM209830
PNG
(US9273033, 132)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1cc(=O)n(C)cc1C1CC1 |r|
Show InChI InChI=1S/C24H26N4O3/c1-14-25-11-20(19-9-23(29)28(2)12-21(19)15-4-5-15)24(27-14)31-13-16-8-18(16)22-7-6-17(30-3)10-26-22/h6-7,9-12,15-16,18H,4-5,8,13H2,1-3H3/t16-,18+/m1/s1
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0.583 -52.7n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...


US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
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