Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 864   

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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294481 (1-(2-(2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazi...) Show SMILES Cc1cnc(C)c2nc(CCc3nc(cn3-c3ccccc3)N3CCCC3=O)nn12 Show InChI InChI=1S/C22H23N7O/c1-15-13-23-16(2)22-24-18(26-29(15)22)10-11-19-25-20(27-12-6-9-21(27)30)14-28(19)17-7-4-3-5-8-17/h3-5,7-8,13-14H,6,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294506 (N,3-Dimethyl-6-{2-[4-(2-oxopyrrolidin-1-yl)-1-phen...) Show SMILES CNC(=O)c1cc(CCc2nc(cn2-c2ccccc2)N2CCCC2=O)nn2c(C)c(nc12)C(F)(F)F Show InChI InChI=1S/C25H24F3N7O2/c1-15-22(25(26,27)28)31-23-18(24(37)29-2)13-16(32-35(15)23)10-11-19-30-20(33-12-6-9-21(33)36)14-34(19)17-7-4-3-5-8-17/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H,29,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294502 (1-(2-{2-[3-Methyl-2-(trifluoromethyl)imidazo[1,2-b...) Show SMILES Cc1c(nc2ccc(CCc3nc(cn3-c3ccccc3)N3CCCC3=O)nn12)C(F)(F)F Show InChI InChI=1S/C23H21F3N6O/c1-15-22(23(24,25)26)28-19-12-10-16(29-32(15)19)9-11-18-27-20(30-13-5-8-21(30)33)14-31(18)17-6-3-2-4-7-17/h2-4,6-7,10,12,14H,5,8-9,11,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294496 (1-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimi...) Show SMILES Cc1cnc(C)n2nc(CCc3nc(cn3-c3ccccc3)N3CCCC3=O)nc12 Show InChI InChI=1S/C22H23N7O/c1-15-13-23-16(2)29-22(15)24-18(26-29)10-11-19-25-20(27-12-6-9-21(27)30)14-28(19)17-7-4-3-5-8-17/h3-5,7-8,13-14H,6,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294488 (1-(2-((4, 8-dimethylquinazolin-2-yl)ethynyl)-1-met...) Show SMILES Cc1cccc2c(C)nc(nc12)C#Cc1nc(cn1C)N1CCCC1=O Show InChI InChI=1S/C20H19N5O/c1-13-6-4-7-15-14(2)21-16(22-20(13)15)9-10-17-23-18(12-24(17)3)25-11-5-8-19(25)26/h4,6-7,12H,5,8,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294482 (1-[2-[E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyr...) Show SMILES Cc1cnc(C)c2nc(\C=C\c3nc(cn3-c3ccccc3)N3CCCC3=O)nn12 Show InChI InChI=1S/C22H21N7O/c1-15-13-23-16(2)22-24-18(26-29(15)22)10-11-19-25-20(27-12-6-9-21(27)30)14-28(19)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3/b11-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294495 (1-[1-(Cyclopropylmethyl)-2-(2-{5,8-dimethyl-[1,2,4...) Show SMILES Cc1cnc(C)n2nc(CCc3nc(cn3CC3CC3)N3CCCC3=O)nc12 Show InChI InChI=1S/C20H25N7O/c1-13-10-21-14(2)27-20(13)22-16(24-27)7-8-17-23-18(26-9-3-4-19(26)28)12-25(17)11-15-5-6-15/h10,12,15H,3-9,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.8	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294491 (1-[1-(Cyclopropylmethyl)-2-(2-{4,7-dimethyl-[1,2,4...) Show SMILES Cc1cnc(C)c2nc(CCc3nc(cn3CC3CC3)N3CCCC3=O)nn12 Show InChI InChI=1S/C20H25N7O/c1-13-10-21-14(2)20-22-16(24-27(13)20)7-8-17-23-18(26-9-3-4-19(26)28)12-25(17)11-15-5-6-15/h10,12,15H,3-9,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.9	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294490 (1-[2-(2-{4,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazi...) Show SMILES Cc1cnc(C)c2nc(CCc3nc(cn3C)N3CCCC3=O)nn12 Show InChI InChI=1S/C17H21N7O/c1-11-9-18-12(2)17-19-13(21-24(11)17)6-7-14-20-15(10-22(14)3)23-8-4-5-16(23)25/h9-10H,4-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294499 (1-{2-[(E)-2-{4,7-Dimethyl-[1,2,4]triazolo[1,5-a]py...) Show SMILES Cc1cnc(C)n2nc(\C=C\c3nc(cn3-c3ccccc3)N3CCCC3=O)nc12 Show InChI InChI=1S/C22H21N7O/c1-15-13-23-16(2)29-22(15)24-18(26-29)10-11-19-25-20(27-12-6-9-21(27)30)14-28(19)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3/b11-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.4	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294504 (1-(2-{2-[3-methyl-2-(trifluoromethyl) imidazo[1, 2...) Show SMILES Cc1c(nc2ccc(nn12)C#Cc1nc(cn1-c1ccccc1)N1CCCC1=O)C(F)(F)F Show InChI InChI=1S/C23H17F3N6O/c1-15-22(23(24,25)26)28-19-12-10-16(29-32(15)19)9-11-18-27-20(30-13-5-8-21(30)33)14-31(18)17-6-3-2-4-7-17/h2-4,6-7,10,12,14H,5,8,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21.9	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294498 (1-[1-(2,2-difluoroethyl)-2-(2-{5,8-dimethyl-[1,2,4...) Show SMILES Cc1cnc(C)n2nc(CCc3nc(cn3CC(F)F)N3CCCC3=O)nc12 Show InChI InChI=1S/C18H21F2N7O/c1-11-8-21-12(2)27-18(11)22-14(24-27)5-6-15-23-16(10-25(15)9-13(19)20)26-7-3-4-17(26)28/h8,10,13H,3-7,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26.8	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294486 (1-{1-Cyclopropyl-2-[2-(5,8-dimethyl-[1,2,4]triazol...) Show SMILES Cc1cnc(C)c2nc(CCc3nc(cn3C3CC3)N3CCCC3=O)nn12 Show InChI InChI=1S/C19H23N7O/c1-12-10-20-13(2)19-21-15(23-26(12)19)7-8-16-22-17(11-25(16)14-5-6-14)24-9-3-4-18(24)27/h10-11,14H,3-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294494 (1-[2-(2-{4,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazi...) Show SMILES Cc1cnc(C)c2nc(nn12)C#Cc1nc(cn1C)N1CCCC1=O Show InChI InChI=1S/C17H17N7O/c1-11-9-18-12(2)17-19-13(21-24(11)17)6-7-14-20-15(10-22(14)3)23-8-4-5-16(23)25/h9-10H,4-5,8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294492 (1-[2-(2-{4,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazi...) Show SMILES Cc1cnc(C)c2nc(CCc3nc(cn3CC(F)(F)F)N3CCCC3=O)nn12 Show InChI InChI=1S/C18H20F3N7O/c1-11-8-22-12(2)17-23-13(25-28(11)17)5-6-14-24-15(27-7-3-4-16(27)29)9-26(14)10-18(19,20)21/h8-9H,3-7,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36.7	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294478 (1-(2-(2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimi...) Show SMILES Cc1cnc(C)n2nc(CCc3nc(cn3C)N3CCCC3=O)nc12 Show InChI InChI=1S/C17H21N7O/c1-11-9-18-12(2)24-17(11)19-13(21-24)6-7-14-20-15(10-22(14)3)23-8-4-5-16(23)25/h9-10H,4-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294493 (1-[1-(2,2-difluoroethyl)-2-(2-{4,7-dimethyl-[1,2,4...) Show SMILES Cc1cnc(C)c2nc(CCc3nc(cn3CC(F)F)N3CCCC3=O)nn12 Show InChI InChI=1S/C18H21F2N7O/c1-11-8-21-12(2)18-22-14(24-27(11)18)5-6-15-23-16(10-25(15)9-13(19)20)26-7-3-4-17(26)28/h8,10,13H,3-7,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	46.9	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294489 (1-{2-[(E)-2-{4,7-dimethyl-[1,2,4]triazolo[1,5-a]py...) Show SMILES Cc1cnc(C)c2nc(\C=C\c3nc(cn3C)N3CCCC3=O)nn12 Show InChI InChI=1S/C17H19N7O/c1-11-9-18-12(2)17-19-13(21-24(11)17)6-7-14-20-15(10-22(14)3)23-8-4-5-16(23)25/h6-7,9-10H,4-5,8H2,1-3H3/b7-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	54.6	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294503 (1-(1-Methyl-2-{2-[3-methyl-2-(trifluoromethyl) imi...) Show SMILES Cc1c(nc2ccc(nn12)C#Cc1nc(cn1C)N1CCCC1=O)C(F)(F)F Show InChI InChI=1S/C18H15F3N6O/c1-11-17(18(19,20)21)23-14-8-6-12(24-27(11)14)5-7-13-22-15(10-25(13)2)26-9-3-4-16(26)28/h6,8,10H,3-4,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75.5	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294485 (1-[1-cyclopropyl-2-[(E)-2-(5,8-dimethyl-[1,2,4]tri...) Show SMILES Cc1cnc(C)c2nc(\C=C\c3nc(cn3C3CC3)N3CCCC3=O)nn12 Show InChI InChI=1S/C19H21N7O/c1-12-10-20-13(2)19-21-15(23-26(12)19)7-8-16-22-17(11-25(16)14-5-6-14)24-9-3-4-18(24)27/h7-8,10-11,14H,3-6,9H2,1-2H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294505 (N,3-Dimethyl-6-{2-[1-methyl-4-(2-oxopyrrolidin-1-y...) Show SMILES CNC(=O)c1cc(CCc2nc(cn2C)N2CCCC2=O)nn2c(C)c(nc12)C(F)(F)F Show InChI InChI=1S/C20H22F3N7O2/c1-11-17(20(21,22)23)26-18-13(19(32)24-2)9-12(27-30(11)18)6-7-14-25-15(10-28(14)3)29-8-4-5-16(29)31/h9-10H,4-8H2,1-3H3,(H,24,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294501 (1-[2-(2-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimi...) Show SMILES Cc1c(nc2ccc(CCc3nc(cn3C)N3CCCC3=O)nn12)C(F)(F)F Show InChI InChI=1S/C18H19F3N6O/c1-11-17(18(19,20)21)23-14-8-6-12(24-27(11)14)5-7-13-22-15(10-25(13)2)26-9-3-4-16(26)28/h6,8,10H,3-5,7,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294483 (1-(1-(Cyclopropylmethyl)-2-(2-(5, 8-dimethyl-[1,2,...) Show SMILES Cc1cnc(C)c2nc(CCc3nc(cn3CC3CC3)-n3ccccc3=O)nn12 Show InChI InChI=1S/C21H23N7O/c1-14-11-22-15(2)21-23-17(25-28(14)21)8-9-18-24-19(13-26(18)12-16-6-7-16)27-10-4-3-5-20(27)29/h3-5,10-11,13,16H,6-9,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294487 (2′-[(E)-2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...) Show SMILES CN1CCN(C1=O)c1cn(C)c(\C=C\c2nc3c(C)ncc(C)n3n2)n1 Show InChI InChI=1S/C17H20N8O/c1-11-9-18-12(2)16-19-13(21-25(11)16)5-6-14-20-15(10-23(14)4)24-8-7-22(3)17(24)26/h5-6,9-10H,7-8H2,1-4H3/b6-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294497 (1-[2-(2-{5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimi...) Show SMILES Cc1cnc(C)n2nc(CCc3nc(cn3CC(F)(F)F)N3CCCC3=O)nc12 Show InChI InChI=1S/C18H20F3N7O/c1-11-8-22-12(2)28-17(11)23-13(25-28)5-6-14-24-15(27-7-3-4-16(27)29)9-26(14)10-18(19,20)21/h8-9H,3-7,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294500 (1-[2-(2-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimi...) Show SMILES Cc1cc(C)n2nc(CCc3nc(cn3C)N3CCCC3=O)nc2n1 Show InChI InChI=1S/C17H21N7O/c1-11-9-12(2)24-17(18-11)19-13(21-24)6-7-14-20-15(10-22(14)3)23-8-4-5-16(23)25/h9-10H,4-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	176	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM294484 (1-(2-(2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazi...) Show SMILES Cc1cnc(C)c2nc(CCc3nc(cn3C)-n3ccccc3=O)nn12 Show InChI InChI=1S/C18H19N7O/c1-12-10-19-13(2)18-20-14(22-25(12)18)7-8-15-21-16(11-23(15)3)24-9-5-4-6-17(24)26/h4-6,9-11H,7-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...				US Patent US9586970 (2017) BindingDB Entry DOI: 10.7270/Q200045H
					More data for this Ligand-Target Pair