Compile Data Set for Download or QSAR

Found 435 hits with Last Name = 'jones' and Initial = 'pg'   

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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50097869 (CHEMBL3589662) Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(I)cccc3c12 Show InChI InChI=1S/C16H9IN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397977 (US10604536, Compound 50 | US9994590, Compound 49) Show SMILES [H][C@]1(C[C@@]1([H])c1nc2c(OC)cc(F)cn2c1C)c1nc2c(C)ncc(C)n2n1 |r| Show InChI InChI=1S/C19H19FN6O/c1-9-7-21-10(2)18-23-17(24-26(9)18)14-6-13(14)16-11(3)25-8-12(20)5-15(27-4)19(25)22-16/h5,7-8,13-14H,6H2,1-4H3/t13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharamaceuticals Inc. US Patent					Assay Description The compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in...				US Patent US10604536 (2020) BindingDB Entry DOI: 10.7270/Q2QN69TF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397957 (US10604536, Compound 29 | US9994590, Compound 29) Show SMILES [H][C@]1(C[C@@]1([H])c1nc2c(ccc3ncccc23)n1C)c1nc2c(C)ncc(C)n2n1 |r| Show InChI InChI=1S/C21H19N7/c1-11-10-23-12(2)20-25-19(26-28(11)20)14-9-15(14)21-24-18-13-5-4-8-22-16(13)6-7-17(18)27(21)3/h4-8,10,14-15H,9H2,1-3H3/t14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharamaceuticals Inc. US Patent					Assay Description The compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in...				US Patent US10604536 (2020) BindingDB Entry DOI: 10.7270/Q2QN69TF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397792 (US10604536, Compound 1 | US9994590, Compound 1) Show SMILES Cc1c(nc2c3cccnc3ccn12)C1CC1c1nc2c(C)ncc(C)n2n1 Show InChI InChI=1S/C21H19N7/c1-11-10-23-12(2)20-25-19(26-28(11)20)16-9-15(16)18-13(3)27-8-6-17-14(21(27)24-18)5-4-7-22-17/h4-8,10,15-16H,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona					Assay Description In one embodiment, the compounds provided herein were assayed for their ability to inhibit human PDE-10A. In one embodiment, the activities of the co...				J Med Chem 52: 5365-79 (2009) BindingDB Entry DOI: 10.7270/Q2VD71TB
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397931 (US10604536, Compound 3 | US9994590, Compound 3) Show SMILES Cc1c(nc2c3ccccc3ccn12)C1CC1c1nc2c(C)ncc(C)n2n1 Show InChI InChI=1S/C22H20N6/c1-12-11-23-13(2)21-25-20(26-28(12)21)18-10-17(18)19-14(3)27-9-8-15-6-4-5-7-16(15)22(27)24-19/h4-9,11,17-18H,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona					Assay Description In one embodiment, the compounds provided herein were assayed for their ability to inhibit human PDE-10A. In one embodiment, the activities of the co...				J Med Chem 52: 5365-79 (2009) BindingDB Entry DOI: 10.7270/Q2VD71TB
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397955 (US10604536, Compound 27 | US9994590, Compound 27) Show SMILES [H][C@]1(C[C@@]1([H])c1nc2c3cccnc3ccn2c1C)c1nc2c(C)ncc(C)n2n1 |r| Show InChI InChI=1S/C21H19N7/c1-11-10-23-12(2)20-25-19(26-28(11)20)16-9-15(16)18-13(3)27-8-6-17-14(21(27)24-18)5-4-7-22-17/h4-8,10,15-16H,9H2,1-3H3/t15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona					Assay Description In one embodiment, the compounds provided herein were assayed for their ability to inhibit human PDE-10A. In one embodiment, the activities of the co...				J Med Chem 52: 5365-79 (2009) BindingDB Entry DOI: 10.7270/Q2VD71TB
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397957 (US10604536, Compound 29 | US9994590, Compound 29) Show SMILES [H][C@]1(C[C@@]1([H])c1nc2c(ccc3ncccc23)n1C)c1nc2c(C)ncc(C)n2n1 |r| Show InChI InChI=1S/C21H19N7/c1-11-10-23-12(2)20-25-19(26-28(11)20)14-9-15(14)21-24-18-13-5-4-8-22-16(13)6-7-17(18)27(21)3/h4-8,10,14-15H,9H2,1-3H3/t14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona					Assay Description In one embodiment, the compounds provided herein were assayed for their ability to inhibit human PDE-10A. In one embodiment, the activities of the co...				J Med Chem 52: 5365-79 (2009) BindingDB Entry DOI: 10.7270/Q2VD71TB
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397977 (US10604536, Compound 50 | US9994590, Compound 49) Show SMILES [H][C@]1(C[C@@]1([H])c1nc2c(OC)cc(F)cn2c1C)c1nc2c(C)ncc(C)n2n1 |r| Show InChI InChI=1S/C19H19FN6O/c1-9-7-21-10(2)18-23-17(24-26(9)18)14-6-13(14)16-11(3)25-8-12(20)5-15(27-4)19(25)22-16/h5,7-8,13-14H,6H2,1-4H3/t13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona					Assay Description In one embodiment, the compounds provided herein were assayed for their ability to inhibit human PDE-10A. In one embodiment, the activities of the co...				J Med Chem 52: 5365-79 (2009) BindingDB Entry DOI: 10.7270/Q2VD71TB
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397792 (US10604536, Compound 1 | US9994590, Compound 1) Show SMILES Cc1c(nc2c3cccnc3ccn12)C1CC1c1nc2c(C)ncc(C)n2n1 Show InChI InChI=1S/C21H19N7/c1-11-10-23-12(2)20-25-19(26-28(11)20)16-9-15(16)18-13(3)27-8-6-17-14(21(27)24-18)5-4-7-22-17/h4-8,10,15-16H,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharamaceuticals Inc. US Patent					Assay Description The compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in...				US Patent US10604536 (2020) BindingDB Entry DOI: 10.7270/Q2QN69TF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397931 (US10604536, Compound 3 | US9994590, Compound 3) Show SMILES Cc1c(nc2c3ccccc3ccn12)C1CC1c1nc2c(C)ncc(C)n2n1 Show InChI InChI=1S/C22H20N6/c1-12-11-23-13(2)21-25-20(26-28(12)21)18-10-17(18)19-14(3)27-9-8-15-6-4-5-7-16(15)22(27)24-19/h4-9,11,17-18H,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharamaceuticals Inc. US Patent					Assay Description The compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in...				US Patent US10604536 (2020) BindingDB Entry DOI: 10.7270/Q2QN69TF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397955 (US10604536, Compound 27 | US9994590, Compound 27) Show SMILES [H][C@]1(C[C@@]1([H])c1nc2c3cccnc3ccn2c1C)c1nc2c(C)ncc(C)n2n1 |r| Show InChI InChI=1S/C21H19N7/c1-11-10-23-12(2)20-25-19(26-28(11)20)16-9-15(16)18-13(3)27-8-6-17-14(21(27)24-18)5-4-7-22-17/h4-8,10,15-16H,9H2,1-3H3/t15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharamaceuticals Inc. US Patent					Assay Description The compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in...				US Patent US10604536 (2020) BindingDB Entry DOI: 10.7270/Q2QN69TF
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2 (Homo sapiens (Human))	BDBM50097868 (CHEMBL3589661) Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12 Show InChI InChI=1S/C16H9BrN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK2 expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50097855 (CHEMBL3589666) Show SMILES COc1ccc2c3[nH]c4c(Br)cccc4c3c(nc2c1)C(O)=O Show InChI InChI=1S/C17H11BrN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50097868 (CHEMBL3589661) Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12 Show InChI InChI=1S/C16H9BrN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50097855 (CHEMBL3589666) Show SMILES COc1ccc2c3[nH]c4c(Br)cccc4c3c(nc2c1)C(O)=O Show InChI InChI=1S/C17H11BrN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50097856 (CHEMBL3589667) Show SMILES COc1ccc2c3[nH]c4c(I)cccc4c3c(nc2c1)C(O)=O Show InChI InChI=1S/C17H11IN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of recombinant VEGFR2 using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 min...				Eur J Med Chem 53: 254-63 (2012) Article DOI: 10.1016/j.ejmech.2012.04.007 BindingDB Entry DOI: 10.7270/Q2W66MT7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50097854 (CHEMBL3589665) Show SMILES COc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O Show InChI InChI=1S/C17H11ClN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2 (Homo sapiens (Human))	BDBM50097855 (CHEMBL3589666) Show SMILES COc1ccc2c3[nH]c4c(Br)cccc4c3c(nc2c1)C(O)=O Show InChI InChI=1S/C17H11BrN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK2 expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50097854 (CHEMBL3589665) Show SMILES COc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O Show InChI InChI=1S/C17H11ClN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 3 (Homo sapiens (Human))	BDBM50097863 (CHEMBL3589674) Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1 Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK3 expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50097867 (CHEMBL3589660) Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Cl)cccc3c12 Show InChI InChI=1S/C16H9ClN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50097868 (CHEMBL3589661) Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12 Show InChI InChI=1S/C16H9BrN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50097872 (CHEMBL3589663) Show SMILES COc1cccc2c1[nH]c1c2c(nc2ccccc12)C(O)=O Show InChI InChI=1S/C17H12N2O3/c1-22-12-8-4-6-10-13-15(19-14(10)12)9-5-2-3-7-11(9)18-16(13)17(20)21/h2-8,19H,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2 (Homo sapiens (Human))	BDBM50097854 (CHEMBL3589665) Show SMILES COc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O Show InChI InChI=1S/C17H11ClN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK2 expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Mus musculus)	BDBM50097868 (CHEMBL3589661) Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12 Show InChI InChI=1S/C16H9BrN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of mouse recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50097862 (CHEMBL3589673) Show SMILES COc1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1 Show InChI InChI=1S/C17H11ClN2O3/c1-23-8-5-6-12-10(7-8)15-13(16(19-12)17(21)22)9-3-2-4-11(18)14(9)20-15/h2-7,20H,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2 (Homo sapiens (Human))	BDBM50097867 (CHEMBL3589660) Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Cl)cccc3c12 Show InChI InChI=1S/C16H9ClN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK2 expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50097863 (CHEMBL3589674) Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1 Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Mus musculus)	BDBM50097855 (CHEMBL3589666) Show SMILES COc1ccc2c3[nH]c4c(Br)cccc4c3c(nc2c1)C(O)=O Show InChI InChI=1S/C17H11BrN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of mouse recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Mus musculus)	BDBM50097867 (CHEMBL3589660) Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Cl)cccc3c12 Show InChI InChI=1S/C16H9ClN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of mouse recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50097865 (CHEMBL3589774) Show SMILES OC(=O)c1nc2ccsc2c2[nH]c3c(Cl)cccc3c12 Show InChI InChI=1S/C14H7ClN2O2S/c15-7-3-1-2-6-9-11(17-10(6)7)13-8(4-5-20-13)16-12(9)14(18)19/h1-5,17H,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397960 (US10604536, Compound 32 | US9994590, Compound 32) Show SMILES CCOc1cccn2c(C)c(nc12)C1CC1c1nc2c(C)ncc(C)n2n1 Show InChI InChI=1S/C20H22N6O/c1-5-27-16-7-6-8-25-13(4)17(22-20(16)25)14-9-15(14)18-23-19-12(3)21-10-11(2)26(19)24-18/h6-8,10,14-15H,5,9H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharamaceuticals Inc. US Patent					Assay Description The compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in...				US Patent US10604536 (2020) BindingDB Entry DOI: 10.7270/Q2QN69TF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397962 (US10604536, Compound 34 | US9994590, Compound 34) Show SMILES COc1cc(F)cn2c(C)c(nc12)C1CC1c1nc2c(C)ncc(C)n2n1 Show InChI InChI=1S/C19H19FN6O/c1-9-7-21-10(2)18-23-17(24-26(9)18)14-6-13(14)16-11(3)25-8-12(20)5-15(27-4)19(25)22-16/h5,7-8,13-14H,6H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharamaceuticals Inc. US Patent					Assay Description The compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in...				US Patent US10604536 (2020) BindingDB Entry DOI: 10.7270/Q2QN69TF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397963 (US10604536, Compound 35 | US9994590, Compound 35) Show SMILES Cc1c(nc2c3OCCOc3ccn12)C1CC1c1nc2c(C)ncc(C)n2n1 Show InChI InChI=1S/C20H20N6O2/c1-10-9-21-11(2)19-23-18(24-26(10)19)14-8-13(14)16-12(3)25-5-4-15-17(20(25)22-16)28-7-6-27-15/h4-5,9,13-14H,6-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharamaceuticals Inc. US Patent					Assay Description The compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in...				US Patent US10604536 (2020) BindingDB Entry DOI: 10.7270/Q2QN69TF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397964 (US10604536, Compound 36 | US9994590, Compound 36) Show SMILES COc1cc(C)cn2c(C)c(nc12)C1CC1c1nc2c(C)ncc(C)n2n1 Show InChI InChI=1S/C20H22N6O/c1-10-6-16(27-5)20-22-17(13(4)25(20)9-10)14-7-15(14)18-23-19-12(3)21-8-11(2)26(19)24-18/h6,8-9,14-15H,7H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharamaceuticals Inc. US Patent					Assay Description The compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in...				US Patent US10604536 (2020) BindingDB Entry DOI: 10.7270/Q2QN69TF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397965 (US10604536, Compound 37 | US9994590, Compound 37) Show SMILES COc1cc(OC)c2nc(C3CC3c3nc4c(C)ncc(C)n4n3)c(C)n2c1 Show InChI InChI=1S/C20H22N6O2/c1-10-8-21-11(2)19-23-18(24-26(10)19)15-7-14(15)17-12(3)25-9-13(27-4)6-16(28-5)20(25)22-17/h6,8-9,14-15H,7H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharamaceuticals Inc. US Patent					Assay Description The compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in...				US Patent US10604536 (2020) BindingDB Entry DOI: 10.7270/Q2QN69TF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397967 (US10604536, Compound 39 | US9994590, Compound 39) Show SMILES Cc1cnc(C)c2nc(nn12)C1CC1c1cn2ccc3OCCOc3c2n1 Show InChI InChI=1S/C19H18N6O2/c1-10-8-20-11(2)18-22-17(23-25(10)18)13-7-12(13)14-9-24-4-3-15-16(19(24)21-14)27-6-5-26-15/h3-4,8-9,12-13H,5-7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharamaceuticals Inc. US Patent					Assay Description The compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in...				US Patent US10604536 (2020) BindingDB Entry DOI: 10.7270/Q2QN69TF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397972 (US10604536, Compound 44 | US9994590, Compound 44) Show SMILES COc1cc(C)cn2c(F)c(nc12)C1CC1c1nc2c(C)ncc(C)n2n1 Show InChI InChI=1S/C19H19FN6O/c1-9-5-14(27-4)19-22-15(16(20)25(19)8-9)12-6-13(12)17-23-18-11(3)21-7-10(2)26(18)24-17/h5,7-8,12-13H,6H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharamaceuticals Inc. US Patent					Assay Description The compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in...				US Patent US10604536 (2020) BindingDB Entry DOI: 10.7270/Q2QN69TF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397976 (US10604536, Compound 48 | US9994590, Compound 48) Show SMILES Cc1cnc(C)c2nc(nn12)C1CC1c1nc2c3OCCOc3ccn2c1F Show InChI InChI=1S/C19H17FN6O2/c1-9-8-21-10(2)18-23-17(24-26(9)18)12-7-11(12)14-16(20)25-4-3-13-15(19(25)22-14)28-6-5-27-13/h3-4,8,11-12H,5-7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharamaceuticals Inc. US Patent					Assay Description The compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in...				US Patent US10604536 (2020) BindingDB Entry DOI: 10.7270/Q2QN69TF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397979 (US10604536, Compound 52 | US9994590, Compound 51) Show SMILES [H][C@]1(C[C@@]1([H])c1nc(cn1C)-c1ccccc1)c1nc2c(C)ncc(C)n2n1 |r| Show InChI InChI=1S/C20H20N6/c1-12-10-21-13(2)19-23-18(24-26(12)19)15-9-16(15)20-22-17(11-25(20)3)14-7-5-4-6-8-14/h4-8,10-11,15-16H,9H2,1-3H3/t15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharamaceuticals Inc. US Patent					Assay Description The compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in...				US Patent US10604536 (2020) BindingDB Entry DOI: 10.7270/Q2QN69TF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397981 (US10604536, Compound 54 | US9994590, Compound 53) Show SMILES [H][C@]1(C[C@@]1([H])c1nc2c(OC)cc(C)cn2c1C)c1nc2c(C)ncc(C)n2n1 |r| Show InChI InChI=1S/C20H22N6O/c1-10-6-16(27-5)20-22-17(13(4)25(20)9-10)14-7-15(14)18-23-19-12(3)21-8-11(2)26(19)24-18/h6,8-9,14-15H,7H2,1-5H3/t14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharamaceuticals Inc. US Patent					Assay Description The compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in...				US Patent US10604536 (2020) BindingDB Entry DOI: 10.7270/Q2QN69TF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397984 (US10604536, Compound 57 | US9994590, Compound 56) Show SMILES [H][C@]1(C[C@@]1([H])c1nc2c(OC)cccn2c1F)c1nc2c(C)ncc(C)n2n1 |r| Show InChI InChI=1S/C18H17FN6O/c1-9-8-20-10(2)17-22-16(23-25(9)17)12-7-11(12)14-15(19)24-6-4-5-13(26-3)18(24)21-14/h4-6,8,11-12H,7H2,1-3H3/t11-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharamaceuticals Inc. US Patent					Assay Description The compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in...				US Patent US10604536 (2020) BindingDB Entry DOI: 10.7270/Q2QN69TF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397983 (US10604536, Compound 55 | US9994590, Compound 55) Show SMILES COc1cccn2c(F)c(nc12)C1CC1c1nc2c(C)ncc(C)n2n1 Show InChI InChI=1S/C18H17FN6O/c1-9-8-20-10(2)17-22-16(23-25(9)17)12-7-11(12)14-15(19)24-6-4-5-13(26-3)18(24)21-14/h4-6,8,11-12H,7H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharamaceuticals Inc. US Patent					Assay Description The compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in...				US Patent US10604536 (2020) BindingDB Entry DOI: 10.7270/Q2QN69TF
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Mus musculus)	BDBM50097868 (CHEMBL3589661) Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12 Show InChI InChI=1S/C16H9BrN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of mouse recombinant CLK2 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397933 (US10604536, Compound 5 | US9994590, Compound 5) Show SMILES Cc1c(nc2c(cccn12)C1CC1)C1CC1c1nc2c(C)ncc(C)n2n1 Show InChI InChI=1S/C21H22N6/c1-11-10-22-12(2)20-24-19(25-27(11)20)17-9-16(17)18-13(3)26-8-4-5-15(14-6-7-14)21(26)23-18/h4-5,8,10,14,16-17H,6-7,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona					Assay Description In one embodiment, the compounds provided herein were assayed for their ability to inhibit human PDE-10A. In one embodiment, the activities of the co...				J Med Chem 52: 5365-79 (2009) BindingDB Entry DOI: 10.7270/Q2VD71TB
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397943 (US10604536, Compound 15 | US9994590, Compound 15) Show SMILES COc1cccn2c(C)c(nc12)C1CC1c1nc2c(C)ncc(C)n2n1 Show InChI InChI=1S/C19H20N6O/c1-10-9-20-11(2)18-22-17(23-25(10)18)14-8-13(14)16-12(3)24-7-5-6-15(26-4)19(24)21-16/h5-7,9,13-14H,8H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona					Assay Description In one embodiment, the compounds provided herein were assayed for their ability to inhibit human PDE-10A. In one embodiment, the activities of the co...				J Med Chem 52: 5365-79 (2009) BindingDB Entry DOI: 10.7270/Q2VD71TB
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397945 (US10604536, Compound 17 | US9994590, Compound 17) Show SMILES CCOc1cccn2cc(nc12)C1CC1c1nc2c(C)ncc(C)n2n1 Show InChI InChI=1S/C19H20N6O/c1-4-26-16-6-5-7-24-10-15(21-19(16)24)13-8-14(13)17-22-18-12(3)20-9-11(2)25(18)23-17/h5-7,9-10,13-14H,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	55	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona					Assay Description In one embodiment, the compounds provided herein were assayed for their ability to inhibit human PDE-10A. In one embodiment, the activities of the co...				J Med Chem 52: 5365-79 (2009) BindingDB Entry DOI: 10.7270/Q2VD71TB
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397947 (US10604536, Compound 19 | US9994590, Compound 19) Show SMILES Cc1cnc(C)c2nc(nn12)C1CC1c1nc(cn1C)-c1ccccc1 Show InChI InChI=1S/C20H20N6/c1-12-10-21-13(2)19-23-18(24-26(12)19)15-9-16(15)20-22-17(11-25(20)3)14-7-5-4-6-8-14/h4-8,10-11,15-16H,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona					Assay Description In one embodiment, the compounds provided herein were assayed for their ability to inhibit human PDE-10A. In one embodiment, the activities of the co...				J Med Chem 52: 5365-79 (2009) BindingDB Entry DOI: 10.7270/Q2VD71TB
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM397949 (US10604536, Compound 21 | US9994590, Compound 21) Show SMILES [H][C@@]1(C[C@]1([H])c1ccc2ccccc2n1)c1nc2c(ccc3ncccc23)n1C |r| Show InChI InChI=1S/C23H18N4/c1-27-21-11-10-19-15(6-4-12-24-19)22(21)26-23(27)17-13-16(17)20-9-8-14-5-2-3-7-18(14)25-20/h2-12,16-17H,13H2,1H3/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona					Assay Description In one embodiment, the compounds provided herein were assayed for their ability to inhibit human PDE-10A. In one embodiment, the activities of the co...				J Med Chem 52: 5365-79 (2009) BindingDB Entry DOI: 10.7270/Q2VD71TB
					More data for this Ligand-Target Pair

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