Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 6416   

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))	BDBM127925 (US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...) Show SMILES Cc1cnc(C)c2nc(CCc3cn4Cc5cc(F)ccc5-c4n3)nn12 Show InChI InChI=1S/C19H17FN6/c1-11-8-21-12(2)18-23-17(24-26(11)18)6-4-15-10-25-9-13-7-14(20)3-5-16(13)19(25)22-15/h3,5,7-8,10H,4,6,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	25
H. Lundbeck A/S US Patent					Assay Description A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...				US Patent US8796304 (2014) BindingDB Entry DOI: 10.7270/Q2FN14WW
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM127929 (US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...) Show SMILES COc1ccc-2c(Cn3cc(CCc4nc5c(C)ncc(C)n5n4)nc-23)c1 Show InChI InChI=1S/C20H20N6O/c1-12-9-21-13(2)19-23-18(24-26(12)19)7-4-15-11-25-10-14-8-16(27-3)5-6-17(14)20(25)22-15/h5-6,8-9,11H,4,7,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	25
H. Lundbeck A/S US Patent					Assay Description A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...				US Patent US8796304 (2014) BindingDB Entry DOI: 10.7270/Q2FN14WW
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM127920 (US8796304, 2-[2-(5,8-Bis(trideuteromethyl)-[1,2,4]...) Show SMILES Cc1cnc(C)c2nc(CCc3cn4Cc5ccccc5-c4n3)nn12 Show InChI InChI=1S/C19H18N6/c1-12-9-20-13(2)18-22-17(23-25(12)18)8-7-15-11-24-10-14-5-3-4-6-16(14)19(24)21-15/h3-6,9,11H,7-8,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	25
H. Lundbeck A/S US Patent					Assay Description A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...				US Patent US8796304 (2014) BindingDB Entry DOI: 10.7270/Q2FN14WW
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM127920 (US8796304, 2-[2-(5,8-Bis(trideuteromethyl)-[1,2,4]...) Show SMILES Cc1cnc(C)c2nc(CCc3cn4Cc5ccccc5-c4n3)nn12 Show InChI InChI=1S/C19H18N6/c1-12-9-20-13(2)18-22-17(23-25(12)18)8-7-15-11-24-10-14-5-3-4-6-16(14)19(24)21-15/h3-6,9,11H,7-8,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	25
H. Lundbeck A/S US Patent					Assay Description A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...				US Patent US8796304 (2014) BindingDB Entry DOI: 10.7270/Q2FN14WW
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM127936 (US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...) Show SMILES COc1cccc2Cn3cc(CCc4nc5c(C)ncc(C)n5n4)nc3-c12 Show InChI InChI=1S/C20H20N6O/c1-12-9-21-13(2)19-23-17(24-26(12)19)8-7-15-11-25-10-14-5-4-6-16(27-3)18(14)20(25)22-15/h4-6,9,11H,7-8,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	25
H. Lundbeck A/S US Patent					Assay Description A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...				US Patent US8796304 (2014) BindingDB Entry DOI: 10.7270/Q2FN14WW
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM127934 (US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...) Show SMILES COc1cccc-2c1Cn1cc(CCc3nc4c(C)ncc(C)n4n3)nc-21 Show InChI InChI=1S/C20H20N6O/c1-12-9-21-13(2)19-23-18(24-26(12)19)8-7-14-10-25-11-16-15(20(25)22-14)5-4-6-17(16)27-3/h4-6,9-10H,7-8,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	25
H. Lundbeck A/S US Patent					Assay Description A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...				US Patent US8796304 (2014) BindingDB Entry DOI: 10.7270/Q2FN14WW
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM127921 (US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...) Show SMILES Cc1ccc(C)n2nc(CCc3cn4Cc5ccccc5-c4n3)nc12 Show InChI InChI=1S/C20H19N5/c1-13-7-8-14(2)25-19(13)22-18(23-25)10-9-16-12-24-11-15-5-3-4-6-17(15)20(24)21-16/h3-8,12H,9-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	25
H. Lundbeck A/S US Patent					Assay Description A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...				US Patent US8796304 (2014) BindingDB Entry DOI: 10.7270/Q2FN14WW
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM127932 (US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...) Show SMILES Cc1cnc(C)c2nc(CCc3cn4Cc5cccc(F)c5-c4n3)nn12 Show InChI InChI=1S/C19H17FN6/c1-11-8-21-12(2)18-23-16(24-26(11)18)7-6-14-10-25-9-13-4-3-5-15(20)17(13)19(25)22-14/h3-5,8,10H,6-7,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	25
H. Lundbeck A/S US Patent					Assay Description A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...				US Patent US8796304 (2014) BindingDB Entry DOI: 10.7270/Q2FN14WW
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM127926 (US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...) Show SMILES Cc1cnc(C)c2nc(CCc3cn4CCc5ccccc5-c4n3)nn12 Show InChI InChI=1S/C20H20N6/c1-13-11-21-14(2)19-23-18(24-26(13)19)8-7-16-12-25-10-9-15-5-3-4-6-17(15)20(25)22-16/h3-6,11-12H,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	0.810	n/a	n/a	n/a	n/a	n/a	25
H. Lundbeck A/S US Patent					Assay Description A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...				US Patent US8796304 (2014) BindingDB Entry DOI: 10.7270/Q2FN14WW
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM127931 (US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...) Show SMILES Cc1cnc(C)c2nc(CCc3cn4Cc5c(cccc5F)-c4n3)nn12 Show InChI InChI=1S/C19H17FN6/c1-11-8-21-12(2)18-23-17(24-26(11)18)7-6-13-9-25-10-15-14(19(25)22-13)4-3-5-16(15)20/h3-5,8-9H,6-7,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	25
H. Lundbeck A/S US Patent					Assay Description A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...				US Patent US8796304 (2014) BindingDB Entry DOI: 10.7270/Q2FN14WW
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM127927 (US8796304, 2-[2-(5,8-Dimethyl-7-oxy-[1,2,4]triazol...) Show SMILES CC1N(O)C=C(C)n2nc(CCc3cn4Cc5ccccc5-c4n3)nc12 |t:4| Show InChI InChI=1S/C19H20N6O/c1-12-9-24(26)13(2)18-21-17(22-25(12)18)8-7-15-11-23-10-14-5-3-4-6-16(14)19(23)20-15/h3-6,9,11,13,26H,7-8,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	25
H. Lundbeck A/S US Patent					Assay Description A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...				US Patent US8796304 (2014) BindingDB Entry DOI: 10.7270/Q2FN14WW
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM127928 (US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...) Show SMILES Cc1cnc(C)c2nc(CCc3cn4Cc5ccc(F)cc5-c4n3)nn12 Show InChI InChI=1S/C19H17FN6/c1-11-8-21-12(2)18-23-17(24-26(11)18)6-5-15-10-25-9-13-3-4-14(20)7-16(13)19(25)22-15/h3-4,7-8,10H,5-6,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	25
H. Lundbeck A/S US Patent					Assay Description A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...				US Patent US8796304 (2014) BindingDB Entry DOI: 10.7270/Q2FN14WW
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM127923 (US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...) Show SMILES Cc1cnc(C)c2nc(C=Cc3cn4Cc5ccccc5-c4n3)nn12 |w:10.10| Show InChI InChI=1S/C19H16N6/c1-12-9-20-13(2)18-22-17(23-25(12)18)8-7-15-11-24-10-14-5-3-4-6-16(14)19(24)21-15/h3-9,11H,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	4.40	n/a	n/a	n/a	n/a	n/a	25
H. Lundbeck A/S US Patent					Assay Description A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...				US Patent US8796304 (2014) BindingDB Entry DOI: 10.7270/Q2FN14WW
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM127922 (US8796304, 2-[2-(5-Methyl-[1,2,4]triazolo[1,5-a]py...) Show SMILES Cc1cccc2nc(CCc3cn4Cc5ccccc5-c4n3)nn12 Show InChI InChI=1S/C19H17N5/c1-13-5-4-8-18-21-17(22-24(13)18)10-9-15-12-23-11-14-6-2-3-7-16(14)19(23)20-15/h2-8,12H,9-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	25
H. Lundbeck A/S US Patent					Assay Description A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...				US Patent US8796304 (2014) BindingDB Entry DOI: 10.7270/Q2FN14WW
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM127924 (US8796304, {2-[2-(5H-Imidazo[2,1-a]isoindol-2-yl)-...) Show SMILES Cc1cnc(CO)c2nc(CCc3cn4Cc5ccccc5-c4n3)nn12 Show InChI InChI=1S/C19H18N6O/c1-12-8-20-16(11-26)19-22-17(23-25(12)19)7-6-14-10-24-9-13-4-2-3-5-15(13)18(24)21-14/h2-5,8,10,26H,6-7,9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	25
H. Lundbeck A/S US Patent					Assay Description A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...				US Patent US8796304 (2014) BindingDB Entry DOI: 10.7270/Q2FN14WW
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM127933 (US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...) Show SMILES COc1ccc2Cn3cc(CCc4nc5c(C)ncc(C)n5n4)nc3-c2c1 Show InChI InChI=1S/C20H20N6O/c1-12-9-21-13(2)19-23-18(24-26(12)19)7-5-15-11-25-10-14-4-6-16(27-3)8-17(14)20(25)22-15/h4,6,8-9,11H,5,7,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	25
H. Lundbeck A/S US Patent					Assay Description A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...				US Patent US8796304 (2014) BindingDB Entry DOI: 10.7270/Q2FN14WW
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM127930 (US8796304, 2-(2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1...) Show SMILES Cc1cnc(C)c2nc(CCc3cn4C(c5ccccc5-c4n3)C(C)(C)O)nn12 Show InChI InChI=1S/C22H24N6O/c1-13-11-23-14(2)20-25-18(26-28(13)20)10-9-15-12-27-19(22(3,4)29)16-7-5-6-8-17(16)21(27)24-15/h5-8,11-12,19,29H,9-10H2,1-4H3	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	n/a	n/a	n/a	n/a	n/a	25
H. Lundbeck A/S US Patent					Assay Description A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...				US Patent US8796304 (2014) BindingDB Entry DOI: 10.7270/Q2FN14WW
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM127938 (US8796304, 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]...) Show SMILES Cc1cc(C)n2nc(SCc3cn4Cc5ccccc5-c4n3)nc2n1 Show InChI InChI=1S/C18H16N6S/c1-11-7-12(2)24-17(19-11)21-18(22-24)25-10-14-9-23-8-13-5-3-4-6-15(13)16(23)20-14/h3-7,9H,8,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	25
H. Lundbeck A/S US Patent					Assay Description A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...				US Patent US8796304 (2014) BindingDB Entry DOI: 10.7270/Q2FN14WW
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM127937 (US8796304, 2-([1,2,4]Triazolo[1,5-a]pyridin-2-ylsu...) Show SMILES C(Sc1nc2ccccn2n1)c1cn2Cc3ccccc3-c2n1 Show InChI InChI=1S/C17H13N5S/c1-2-6-14-12(5-1)9-21-10-13(18-16(14)21)11-23-17-19-15-7-3-4-8-22(15)20-17/h1-8,10H,9,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	25
H. Lundbeck A/S US Patent					Assay Description A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...				US Patent US8796304 (2014) BindingDB Entry DOI: 10.7270/Q2FN14WW
					More data for this Ligand-Target Pair