Compile Data Set for Download or QSAR

Found 197 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 10A (PDE10A)'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Phosphodiesterase (Bos taurus (Bovine))	BDBM144388 (US8969376, 1.002 (3/2 HCl)) Show SMILES CN(C1CCOCC1)c1cc(nc2cc(nn12)-c1nc2ccccc2nc1C)N1CCCC1 Show InChI InChI=1S/C25H29N7O/c1-17-25(27-20-8-4-3-7-19(20)26-17)21-15-23-28-22(31-11-5-6-12-31)16-24(32(23)29-21)30(2)18-9-13-33-14-10-18/h3-4,7-8,15-16,18H,5-6,9-14H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.00450	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144415 (US8969376, 1.152) Show SMILES Cc1ccc2nc(C)c(nc2c1)-c1cc2nc(cc(N(C3CC3)C3CCOCC3)n2n1)N1CCC[C@H]1CO |r| Show InChI InChI=1S/C29H35N7O2/c1-18-5-8-23-24(14-18)31-29(19(2)30-23)25-15-27-32-26(34-11-3-4-22(34)17-37)16-28(36(27)33-25)35(20-6-7-20)21-9-12-38-13-10-21/h5,8,14-16,20-22,37H,3-4,6-7,9-13,17H2,1-2H3/t22-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.00680	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144408 (US8969376, 1.112) Show SMILES Cc1ccc2nc(C)c(nc2c1)-c1cc2nc(cc(N[C@@H]3CCS(=O)(=O)C3)n2n1)N1CCCC1 |r| Show InChI InChI=1S/C24H27N7O2S/c1-15-5-6-18-19(11-15)27-24(16(2)25-18)20-12-22-28-21(30-8-3-4-9-30)13-23(31(22)29-20)26-17-7-10-34(32,33)14-17/h5-6,11-13,17,26H,3-4,7-10,14H2,1-2H3/t17-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.00850	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144399 (US8969376, 1.050) Show SMILES COCCN(CCCO)c1cc(nc2cc(nn12)-c1nc2cc(C)ccc2nc1C)N1CCCC1 Show InChI InChI=1S/C26H33N7O2/c1-18-7-8-20-21(15-18)28-26(19(2)27-20)22-16-24-29-23(31-9-4-5-10-31)17-25(33(24)30-22)32(11-6-13-34)12-14-35-3/h7-8,15-17,34H,4-6,9-14H2,1-3H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0190	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144405 (US8969376, 1.097) Show SMILES Cc1nc2ccc(F)cc2nc1-c1cc2nc(cc(N[C@H]3CCCC[C@@H]3O)n2n1)N1CCCC1 |r| Show InChI InChI=1S/C25H28FN7O/c1-15-25(29-19-12-16(26)8-9-17(19)27-15)20-13-23-30-22(32-10-4-5-11-32)14-24(33(23)31-20)28-18-6-2-3-7-21(18)34/h8-9,12-14,18,21,28,34H,2-7,10-11H2,1H3/t18-,21-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0350	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144409 (US8969376, 1.114) Show SMILES CC(=O)N1CCC(CC1)Nc1cc(nc2cc(nn12)-c1nc2cc(C)ccc2nc1C)N1CCCC1 Show InChI InChI=1S/C27H32N8O/c1-17-6-7-21-22(14-17)30-27(18(2)28-21)23-15-25-31-24(34-10-4-5-11-34)16-26(35(25)32-23)29-20-8-12-33(13-9-20)19(3)36/h6-7,14-16,20,29H,4-5,8-13H2,1-3H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0440	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144398 (US8969376, 1.047) Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1cc(nc2cc(nn12)-c1nc2cc(ccc2nc1C)C(F)(F)F)N1CCCC1 |r,wU:2.1,wD:5.8,(8.7,-4.12,;7.36,-4.89,;6.03,-4.12,;4.65,-4.86,;3.32,-4.09,;3.32,-2.55,;4.65,-1.78,;5.98,-2.55,;1.98,-1.78,;1.98,-.24,;3.32,.53,;3.32,2.07,;1.98,2.84,;.65,2.07,;-.82,2.55,;-1.72,1.3,;-.82,.06,;.65,.53,;-3.26,1.3,;-4.03,-.03,;-5.57,-.03,;-6.34,-1.37,;-7.91,-1.41,;-8.65,-.03,;-7.88,1.3,;-6.34,1.3,;-5.57,2.64,;-4.03,2.64,;-3.26,3.97,;-8.69,-2.75,;-9.46,-4.08,;-10.02,-1.98,;-7.35,-3.52,;4.65,2.84,;6.11,2.37,;7.02,3.61,;6.11,4.86,;4.65,4.38,)| Show InChI InChI=1S/C27H30F3N7O/c1-16-26(33-21-13-17(27(28,29)30)5-10-20(21)31-16)22-14-24-34-23(36-11-3-4-12-36)15-25(37(24)35-22)32-18-6-8-19(38-2)9-7-18/h5,10,13-15,18-19,32H,3-4,6-9,11-12H2,1-2H3/t18-,19-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0450	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144397 (US8969376, 1.031) Show SMILES Cc1nc2ccccc2nc1-c1cc2nc(cc(NCCC#N)n2n1)N1CCCC1 Show InChI InChI=1S/C22H22N8/c1-15-22(26-17-8-3-2-7-16(17)25-15)18-13-21-27-20(29-11-4-5-12-29)14-19(30(21)28-18)24-10-6-9-23/h2-3,7-8,13-14,24H,4-6,10-12H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0520	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144390 (US8969376, 1.006) Show SMILES Cc1nc2ccc(F)cc2nc1-c1cc2nc(cc(NCC(C)(C)O)n2n1)N1CC[C@@H](F)C1 |r| Show InChI InChI=1S/C23H25F2N7O/c1-13-22(28-17-8-14(24)4-5-16(17)27-13)18-9-21-29-20(31-7-6-15(25)11-31)10-19(32(21)30-18)26-12-23(2,3)33/h4-5,8-10,15,26,33H,6-7,11-12H2,1-3H3/t15-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144394 (US8969376, 1.013) Show SMILES Cc1nc2ccc(F)cc2nc1-c1cc2nc(cc(N[C@H]3CC[C@](C)(O)CC3)n2n1)N1CC[C@@H](F)C1 |r,wU:20.21,23.25,wD:33.38,23.26,(-2.7,3.3,;-3.47,1.97,;-5.01,1.97,;-5.78,.64,;-7.32,.64,;-8.09,-.7,;-7.32,-2.03,;-8.09,-3.37,;-5.78,-2.03,;-5.01,-.7,;-3.47,-.7,;-2.7,.64,;-1.16,.64,;-.25,1.88,;1.21,1.41,;2.55,2.18,;3.88,1.41,;3.88,-.13,;2.55,-.9,;2.55,-2.44,;3.88,-3.21,;5.21,-2.44,;6.55,-3.21,;6.55,-4.75,;8.09,-4.75,;7.88,-5.52,;5.21,-5.52,;3.88,-4.75,;1.21,-.13,;-.25,-.61,;5.21,2.18,;6.68,1.7,;7.58,2.95,;6.68,4.19,;7.45,5.52,;5.21,3.72,)| Show InChI InChI=1S/C26H29F2N7O/c1-15-25(31-20-11-16(27)3-4-19(20)29-15)21-12-23-32-22(34-10-7-17(28)14-34)13-24(35(23)33-21)30-18-5-8-26(2,36)9-6-18/h3-4,11-13,17-18,30,36H,5-10,14H2,1-2H3/t17-,18-,26-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144387 (US8969376, 1.001 (HCl)) Show SMILES Cc1nc2ccccc2nc1-c1cc2nc(cc(NC3CCOCC3)n2n1)N1CCCC1 Show InChI InChI=1S/C24H27N7O/c1-16-24(27-19-7-3-2-6-18(19)25-16)20-14-22-28-21(30-10-4-5-11-30)15-23(31(22)29-20)26-17-8-12-32-13-9-17/h2-3,6-7,14-15,17,26H,4-5,8-13H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144396 (US8969376, 1.027) Show SMILES Cc1nc2ccccc2nc1-c1cc2nc(cc(NC[C@H](O)C(F)(F)F)n2n1)N1CCCC1 |r| Show InChI InChI=1S/C22H22F3N7O/c1-13-21(28-15-7-3-2-6-14(15)27-13)16-10-20-29-19(31-8-4-5-9-31)11-18(32(20)30-16)26-12-17(33)22(23,24)25/h2-3,6-7,10-11,17,26,33H,4-5,8-9,12H2,1H3/t17-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144410 (US8969376, 1.123) Show SMILES CCCN1CCC(CC1)Nc1cc(nc2cc(nn12)-c1nc2cc(C)ccc2nc1C)N1CCCC1 Show InChI InChI=1S/C28H36N8/c1-4-11-34-14-9-21(10-15-34)30-27-18-25(35-12-5-6-13-35)32-26-17-24(33-36(26)27)28-20(3)29-22-8-7-19(2)16-23(22)31-28/h7-8,16-18,21,30H,4-6,9-15H2,1-3H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.150	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144411 (US8969376, 1.126) Show SMILES CN(C)CCNc1cc(nc2cc(nn12)-c1nc2cc(C)ccc2nc1C)N1CCCC1 Show InChI InChI=1S/C24H30N8/c1-16-7-8-18-19(13-16)27-24(17(2)26-18)20-14-23-28-22(31-10-5-6-11-31)15-21(32(23)29-20)25-9-12-30(3)4/h7-8,13-15,25H,5-6,9-12H2,1-4H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.170	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144404 (US8969376, 1.085) Show SMILES C[C@]1(O)CC[C@@H](CC1)Nc1cc(nc2cc(nn12)-c1nc2ccccc2nc1C(F)(F)F)N1CC[C@@H](F)C1 |r,wU:5.8,1.0,wD:35.40,1.1,(8.09,-4.75,;6.55,-4.75,;7.88,-5.52,;6.55,-3.21,;5.21,-2.44,;3.88,-3.21,;3.88,-4.75,;5.21,-5.52,;2.55,-2.44,;2.55,-.9,;3.88,-.13,;3.88,1.41,;2.55,2.18,;1.21,1.41,;-.25,1.88,;-1.16,.64,;-.25,-.61,;1.21,-.13,;-2.7,.64,;-3.47,-.7,;-5.01,-.7,;-5.78,-2.03,;-7.32,-2.03,;-8.09,-.7,;-7.32,.64,;-5.78,.64,;-5.01,1.97,;-3.47,1.97,;-2.7,3.3,;-1.93,4.64,;-4.03,4.07,;-1.36,2.53,;5.21,2.18,;6.68,1.7,;7.58,2.95,;6.68,4.19,;7.45,5.52,;5.21,3.72,)| Show InChI InChI=1S/C26H27F4N7O/c1-25(38)9-6-16(7-10-25)31-22-13-20(36-11-8-15(27)14-36)34-21-12-19(35-37(21)22)23-24(26(28,29)30)33-18-5-3-2-4-17(18)32-23/h2-5,12-13,15-16,31,38H,6-11,14H2,1H3/t15-,16-,25-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.180	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144391 (US8969376, 1.009) Show SMILES Cc1nc2ccccc2nc1-c1cc2nc(cc(NC3CCOCC3)n2n1)N1CC=CC1 |c:34| Show InChI InChI=1S/C24H25N7O/c1-16-24(27-19-7-3-2-6-18(19)25-16)20-14-22-28-21(30-10-4-5-11-30)15-23(31(22)29-20)26-17-8-12-32-13-9-17/h2-7,14-15,17,26H,8-13H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144393 (US8969376, 1.011) Show SMILES Cc1nc2ccccc2nc1-c1cc2nc(cc(NC3CCOCC3)n2n1)C1=CCCC1 |t:32| Show InChI InChI=1S/C25H26N6O/c1-16-25(29-20-9-5-4-8-19(20)26-16)22-15-24-28-21(17-6-2-3-7-17)14-23(31(24)30-22)27-18-10-12-32-13-11-18/h4-6,8-9,14-15,18,27H,2-3,7,10-13H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144412 (US8969376, 1.133) Show SMILES Cc1nc2CCCCc2nc1-c1cc2nc(cc(NC3CCC(F)(F)CC3)n2n1)N1CCCC1 Show InChI InChI=1S/C25H31F2N7/c1-16-24(30-19-7-3-2-6-18(19)28-16)20-14-22-31-21(33-12-4-5-13-33)15-23(34(22)32-20)29-17-8-10-25(26,27)11-9-17/h14-15,17,29H,2-13H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144401 (US8969376, 1.059) Show SMILES Cc1nc2ccccc2nc1-c1cc2nc(cc(NCC(C)(C)O)n2n1)N1CC[C@@H](F)C1 |r| Show InChI InChI=1S/C23H26FN7O/c1-14-22(27-17-7-5-4-6-16(17)26-14)18-10-21-28-20(30-9-8-15(24)12-30)11-19(31(21)29-18)25-13-23(2,3)32/h4-7,10-11,15,25,32H,8-9,12-13H2,1-3H3/t15-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.320	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A [440-779] (Homo sapiens (Human))	BDBM164395 (US9669029, 98 8-Methoxy-5-methyl-2-{2-[1-(2-morpho...) Show SMILES COC1=CC=C(C)N2N=C(CCc3nc(cn3CCN3CCOCC3)-c3cccs3)NC12 |t:2,4,8| Show InChI InChI=1S/C23H30N6O2S/c1-17-5-6-19(30-2)23-25-21(26-29(17)23)7-8-22-24-18(20-4-3-15-32-20)16-28(22)10-9-27-11-13-31-14-12-27/h3-6,15-16,23H,7-14H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	25
TBA 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
Phosphodiesterase (Bos taurus (Bovine))	BDBM144427 (US8969376, 2.001) Show SMILES Cc1nc2ccccc2nc1-c1cc2nc(cc(CC3CCOCC3)n2n1)N1CCCC1 Show InChI InChI=1S/C25H28N6O/c1-17-25(27-21-7-3-2-6-20(21)26-17)22-16-24-28-23(30-10-4-5-11-30)15-19(31(24)29-22)14-18-8-12-32-13-9-18/h2-3,6-7,15-16,18H,4-5,8-14H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144392 (US8969376, 1.010 (HCl)) Show SMILES Cc1nc2ccccc2nc1-c1cc2nc(cc(OC3CCOCC3)n2n1)N1CCCC1 Show InChI InChI=1S/C24H26N6O2/c1-16-24(26-19-7-3-2-6-18(19)25-16)20-14-22-27-21(29-10-4-5-11-29)15-23(30(22)28-20)32-17-8-12-31-13-9-17/h2-3,6-7,14-15,17H,4-5,8-13H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144403 (US8969376, 1.081) Show SMILES CCc1nc2ccccc2nc1-c1cc2nc(cc(N[C@H]3CC[C@@H](CC3)OC)n2n1)N1CC[C@@H](F)C1 |r,wU:20.21,wD:33.38,23.28,(-4.03,4.64,;-3.26,3.3,;-4.03,1.97,;-5.57,1.97,;-6.34,.64,;-7.88,.64,;-8.65,-.7,;-7.88,-2.03,;-6.34,-2.03,;-5.57,-.7,;-4.03,-.7,;-3.26,.64,;-1.72,.64,;-.82,1.88,;.65,1.41,;1.98,2.18,;3.32,1.41,;3.32,-.13,;1.98,-.9,;1.98,-2.44,;3.32,-3.21,;4.65,-2.44,;5.98,-3.21,;6.03,-4.78,;4.65,-5.52,;3.32,-4.75,;7.36,-5.55,;8.7,-4.78,;.65,-.13,;-.82,-.61,;4.65,2.18,;6.11,1.7,;7.02,2.95,;6.11,4.19,;6.88,5.52,;4.65,3.72,)| Show InChI InChI=1S/C27H32FN7O/c1-3-20-27(31-22-7-5-4-6-21(22)30-20)23-14-25-32-24(34-13-12-17(28)16-34)15-26(35(25)33-23)29-18-8-10-19(36-2)11-9-18/h4-7,14-15,17-19,29H,3,8-13,16H2,1-2H3/t17-,18-,19-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.390	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A [440-779] (Homo sapiens (Human))	BDBM164399 (US9669029, 102 5,8-Dimethyl-2-[2-(1-methyl-4-thiop...) Show SMILES CC1=CN=C(C)C2NC(CCc3nc(cn3C)-c3ccco3)=NN12 |c:23,t:1,3| Show InChI InChI=1S/C17H20N6O/c1-11-9-18-12(2)17-20-15(21-23(11)17)6-7-16-19-13(10-22(16)3)14-5-4-8-24-14/h4-5,8-10,17H,6-7H2,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	25
TBA 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
Phosphodiesterase (Bos taurus (Bovine))	BDBM144414 (US8969376, 1.147) Show SMILES Cc1nc2ccccc2nc1-c1cc2nc(cc(N[C@@H]3CCCOC3)n2n1)N1CCC[C@H]1CO |r| Show InChI InChI=1S/C25H29N7O2/c1-16-25(28-20-9-3-2-8-19(20)26-16)21-12-23-29-22(31-10-4-7-18(31)14-33)13-24(32(23)30-21)27-17-6-5-11-34-15-17/h2-3,8-9,12-13,17-18,27,33H,4-7,10-11,14-15H2,1H3/t17-,18+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.390	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A [440-779] (Homo sapiens (Human))	BDBM164544 (US9669029, 115 5,8-Dimethyl-2-[2-(1-methyl-4-thiaz...) Show SMILES CC1=CC=C(C)N2N=C(CCc3nc(cn3C)-c3cscn3)NC12 |t:1,3,7| Show InChI InChI=1S/C17H20N6S/c1-11-4-5-12(2)23-17(11)20-15(21-23)6-7-16-19-13(8-22(16)3)14-9-24-10-18-14/h4-5,8-10,17H,6-7H2,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	25
TBA 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 [440-779] (Homo sapiens (Human))	BDBM164545 (US9669029, 116 5,8-Dimethyl-2-[2-(1-methyl-4-pyrim...) Show SMILES CC1=CN=C(C)C2NC(CCc3nc(cn3C)-c3cncnc3)=NN12 |c:24,t:1,3| Show InChI InChI=1S/C17H20N8/c1-11-6-20-12(2)17-22-15(23-25(11)17)4-5-16-21-14(9-24(16)3)13-7-18-10-19-8-13/h6-10,17H,4-5H2,1-3H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	25
TBA 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
Phosphodiesterase (Bos taurus (Bovine))	BDBM144407 (US8969376, 1.111) Show SMILES Cc1ccc2nc(-c3cc4nc(cc(NC5CCOCC5)n4n3)N3CCCC3)c(C)nc2c1 Show InChI InChI=1S/C25H29N7O/c1-16-5-6-19-20(13-16)26-17(2)25(28-19)21-14-23-29-22(31-9-3-4-10-31)15-24(32(23)30-21)27-18-7-11-33-12-8-18/h5-6,13-15,18,27H,3-4,7-12H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.460	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144413 (US8969376, 1.144 (Free)) Show SMILES CN(C1CCOCC1)c1cc(nc2cc(nn12)-c1nc(C)c(C)nc1C)N1CCCC1 Show InChI InChI=1S/C23H31N7O/c1-15-16(2)25-23(17(3)24-15)19-13-21-26-20(29-9-5-6-10-29)14-22(30(21)27-19)28(4)18-7-11-31-12-8-18/h13-14,18H,5-12H2,1-4H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.480	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A [440-779] (Homo sapiens (Human))	BDBM164549 (US9669029, 117 5,8-Dimethyl-2-[2-(1-methyl-4-pyraz...) Show SMILES CC1=CN=C(C)C2NC(CCc3nc(cn3C)-c3cnccn3)=NN12 |c:24,t:1,3| Show InChI InChI=1S/C17H20N8/c1-11-8-20-12(2)17-22-15(23-25(11)17)4-5-16-21-14(10-24(16)3)13-9-18-6-7-19-13/h6-10,17H,4-5H2,1-3H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	25
TBA 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 [440-779] (Homo sapiens (Human))	BDBM164283 (US9669029, 33 5-Methyl-2-[2-(4-thiophen-2-yl-1H-im...) Show SMILES CC1=CC=CC2NC(CCc3nc(c[nH]3)-c3cccs3)=NN12 |c:3,21,t:1| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	25
TBA 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 [440-779] (Homo sapiens (Human))	BDBM164560 (US9669029, 118 5,8-Dimethyl-2-[2-(1-methyl-4-pyrid...) Show SMILES CC1=CN=C(C)C2NC(CCc3nc(cn3C)-c3ccncc3)=NN12 |c:24,t:1,3| Show InChI InChI=1S/C18H21N7/c1-12-10-20-13(2)18-22-16(23-25(12)18)4-5-17-21-15(11-24(17)3)14-6-8-19-9-7-14/h6-11,18H,4-5H2,1-3H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	25
TBA 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
Phosphodiesterase (Bos taurus (Bovine))	BDBM144395 (US8969376, 1.019) Show SMILES Cc1nc2ccccc2nc1-c1cc2nc(cc(N3CCCC3)n2n1)N1CCCC1 Show InChI InChI=1S/C23H25N7/c1-16-23(25-18-9-3-2-8-17(18)24-16)19-14-21-26-20(28-10-4-5-11-28)15-22(30(21)27-19)29-12-6-7-13-29/h2-3,8-9,14-15H,4-7,10-13H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144400 (US8969376, 1.058) Show SMILES Cc1nc2ccccc2nc1-c1cc2nc(cc(NC3COC3)n2n1)N1CC[C@@H](F)C1 |r| Show InChI InChI=1S/C22H22FN7O/c1-13-22(26-17-5-3-2-4-16(17)24-13)18-8-20-27-19(29-7-6-14(23)10-29)9-21(30(20)28-18)25-15-11-31-12-15/h2-5,8-9,14-15,25H,6-7,10-12H2,1H3/t14-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.650	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144406 (US8969376, 1.109) Show SMILES Cc1cccc2nc(-c3cc4nc(cc(NC5CCOCC5)n4n3)N3CCCC3)c(C)nc12 Show InChI InChI=1S/C25H29N7O/c1-16-6-5-7-19-24(16)26-17(2)25(28-19)20-14-22-29-21(31-10-3-4-11-31)15-23(32(22)30-20)27-18-8-12-33-13-9-18/h5-7,14-15,18,27H,3-4,8-13H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.780	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
Phosphodiesterase (Bos taurus (Bovine))	BDBM144389 (US8969376, 1.003 (HCl)) Show SMILES Cc1nc2ccccc2nc1-c1cc2nc(cc(NC3CCOCC3)n2n1)N1CC[C@@H](F)C1 |r| Show InChI InChI=1S/C24H26FN7O/c1-15-24(28-19-5-3-2-4-18(19)26-15)20-12-22-29-21(31-9-6-16(25)14-31)13-23(32(22)30-20)27-17-7-10-33-11-8-17/h2-5,12-13,16-17,27H,6-11,14H2,1H3/t16-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	0.830	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphodiesterase (Bos taurus (Bovine))	BDBM144402 (US8969376, 1.062) Show SMILES Cc1nc2ccccc2nc1-c1cc2nc(cc(NC3CC3)n2n1)N1CC[C@@H](F)C1 |r| Show InChI InChI=1S/C22H22FN7/c1-13-22(26-17-5-3-2-4-16(17)24-13)18-10-20-27-19(29-9-8-14(23)12-29)11-21(30(20)28-18)25-15-6-7-15/h2-5,10-11,14-15,25H,6-9,12H2,1H3/t14-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.870	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A [440-779] (Homo sapiens (Human))	BDBM164284 (US9669029, 34 8-Methyl-2-[2-(4-thiophen-2-yl-1H-im...) Show SMILES CC1=CC=CN2N=C(CCc3nc(c[nH]3)-c3cccs3)NC12 |c:3,t:1,6| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	25
TBA 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 [440-779] (Homo sapiens (Human))	BDBM164391 (US9669029, 94 5,8-Dimethyl-2-[2-(1-methyl-4-thioph...) Show SMILES CC1=CC=C(C)N2N=C(CCc3nc(cn3C)-c3cccs3)NC12 |t:1,3,7| Show InChI InChI=1S/C18H21N5S/c1-12-6-7-13(2)23-18(12)20-16(21-23)8-9-17-19-14(11-22(17)3)15-5-4-10-24-15/h4-7,10-11,18H,8-9H2,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
TBA 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
Phosphodiesterase (Bos taurus (Bovine))	BDBM144416 (US8969376, 1.154) Show SMILES Cc1ccc2nc(C)c(nc2c1)-c1cc2nc(cc(NC3CCOCC3)n2n1)N1CC(O)C1 Show InChI InChI=1S/C24H27N7O2/c1-14-3-4-18-19(9-14)27-24(15(2)25-18)20-10-22-28-21(30-12-17(32)13-30)11-23(31(22)29-20)26-16-5-7-33-8-6-16/h3-4,9-11,16-17,26,32H,5-8,12-13H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.08	n/a	n/a	n/a	n/a	8.0	n/a
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 13...				US Patent US8969376 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z7M
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A [440-779] (Homo sapiens (Human))	BDBM164354 (US9669029, 62 8-Methoxy-5-methyl-2-[2-(1-methyl-4-...) Show SMILES COC1=CC=C(C)N2N=C(CCc3nc(cn3C)-c3cccs3)NC12 |t:2,4,8| Show InChI InChI=1S/C18H21N5OS/c1-12-6-7-14(24-3)18-20-16(21-23(12)18)8-9-17-19-13(11-22(17)2)15-5-4-10-25-15/h4-7,10-11,18H,8-9H2,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	25
TBA 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 [440-779] (Homo sapiens (Human))	BDBM164392 (US9669029, 95 8-Methoxy-5-methyl-2-[2-(1-propyl-4-...) Show SMILES CCCn1cc(nc1CCC1=NN2C(N1)C(OC)=CC=C2C)-c1cccs1 |c:19,21,t:11| Show InChI InChI=1S/C20H25N5OS/c1-4-11-24-13-15(17-6-5-12-27-17)21-19(24)10-9-18-22-20-16(26-3)8-7-14(2)25(20)23-18/h5-8,12-13,20H,4,9-11H2,1-3H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	25
TBA 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 [440-779] (Homo sapiens (Human))	BDBM164543 (US9669029, 114 5,8-Dimethyl-2-[2-(1-methyl-4-thiaz...) Show SMILES CC1=CN=C(C)C2NC(CCc3nc(cn3C)-c3cscn3)=NN12 |c:23,t:1,3| Show InChI InChI=1S/C16H19N7S/c1-10-6-17-11(2)16-20-14(21-23(10)16)4-5-15-19-12(7-22(15)3)13-8-24-9-18-13/h6-9,16H,4-5H2,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.29	n/a	n/a	n/a	n/a	n/a	25
TBA 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 [440-779] (Homo sapiens (Human))	BDBM164354 (US9669029, 62 8-Methoxy-5-methyl-2-[2-(1-methyl-4-...) Show SMILES COC1=CC=C(C)N2N=C(CCc3nc(cn3C)-c3cccs3)NC12 |t:2,4,8| Show InChI InChI=1S/C18H21N5OS/c1-12-6-7-14(24-3)18-20-16(21-23(12)18)8-9-17-19-13(11-22(17)2)15-5-4-10-25-15/h4-7,10-11,18H,8-9H2,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	25
TBA 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 [440-779] (Homo sapiens (Human))	BDBM164396 (US9669029, 99 8-Methoxy-5-methyl-2-[2-(1-methyl-4-...) Show SMILES COC1=CC=C(C)N2N=C(CCc3nc(cn3C)-c3ccsc3)NC12 |t:2,4,8| Show InChI InChI=1S/C18H21N5OS/c1-12-4-5-15(24-3)18-20-16(21-23(12)18)6-7-17-19-14(10-22(17)2)13-8-9-25-11-13/h4-5,8-11,18H,6-7H2,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	25
TBA 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 [440-779] (Homo sapiens (Human))	BDBM164394 (US9669029, 97 4-{2-[2-(8-Methoxy-5-methyl-[1,2,4]t...) Show SMILES COC1=CC=C(C)N2N=C(CCc3nc(cn3CCCC#N)-c3cncs3)NC12 |t:2,4,8| Show InChI InChI=1S/C20H23N7OS/c1-14-5-6-16(28-2)20-24-18(25-27(14)20)7-8-19-23-15(17-11-22-13-29-17)12-26(19)10-4-3-9-21/h5-6,11-13,20H,3-4,7-8,10H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	25
TBA 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 [440-779] (Homo sapiens (Human))	BDBM164495 (US9669029, 103 5,8-Dimethyl-2-[2-(1-methyl-4-thiaz...) Show SMILES CC1=CC=C(C)N2N=C(CCc3nc(cn3C)-c3nccs3)NC12 |t:1,3,7| Show InChI InChI=1S/C17H20N6S/c1-11-4-5-12(2)23-16(11)20-14(21-23)6-7-15-19-13(10-22(15)3)17-18-8-9-24-17/h4-5,8-10,16H,6-7H2,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	25
TBA 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 [440-779] (Homo sapiens (Human))	BDBM164316 (US9669029, 50 8-Methoxy-5-methyl-2-[(E)-2-(1-methy...) Show SMILES COC1=CC=C(C)N2N=C(NC12)\C=C/c1nc(cn1C)-c1cccs1 |c:8,t:2,4| Show InChI InChI=1S/C18H19N5OS/c1-12-6-7-14(24-3)18-20-16(21-23(12)18)8-9-17-19-13(11-22(17)2)15-5-4-10-25-15/h4-11,18H,1-3H3,(H,20,21)/b9-8-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	25
TBA 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 [440-779] (Homo sapiens (Human))	BDBM164501 (US9669029, 104 5,8-Dimethyl-2-[2-(1-methyl-4-thiaz...) Show SMILES CC1=CN=C(C)C2NC(CCc3nc(cn3C)-c3nccs3)=NN12 |c:23,t:1,3| Show InChI InChI=1S/C16H19N7S/c1-10-8-18-11(2)15-20-13(21-23(10)15)4-5-14-19-12(9-22(14)3)16-17-6-7-24-16/h6-9,15H,4-5H2,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	25
TBA 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 [440-779] (Homo sapiens (Human))	BDBM164350 (US9669029, 59 (R)-1-Chloro-3-{2-[2-(5-methyl-[1,2,...) Show SMILES CC1=CC=CC2NC(CCc3nc(cn3C[C@@H](O)CCl)-c3cccs3)=NN12 |r,c:3,26,t:1| Show InChI InChI=1S/C19H22ClN5OS/c1-13-4-2-6-19-22-17(23-25(13)19)7-8-18-21-15(16-5-3-9-27-16)12-24(18)11-14(26)10-20/h2-6,9,12,14,19,26H,7-8,10-11H2,1H3,(H,22,23)/t14-,19?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	25
TBA 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

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