Compile Data Set for Download or QSAR

Found 4211 hits with Last Name = 'shore' and Initial = 'd'   

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
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236019 (US9365562, 57) Show SMILES Cc1nc(Cc2cc(F)ccc2F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C26H24F2N8/c1-15-29-23(35-13-18(14-35)26-32-21-6-4-5-7-22(21)34(26)3)12-25(30-15)36-24(31-16(2)33-36)11-17-10-19(27)8-9-20(17)28/h4-10,12,18H,11,13-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0650	-58.1	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50029978 (CHEMBL3353441) Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cc(Br)cnc2n(Cc2ccc(F)cc2)c1=O |r,wU:4.7,1.0,(16.02,-5.47,;14.69,-6.25,;14.69,-7.79,;13.37,-8.56,;12.03,-7.79,;12.02,-6.26,;13.35,-5.48,;10.7,-8.57,;9.36,-7.8,;9.35,-6.26,;8.03,-8.58,;6.69,-7.82,;5.37,-8.6,;4.03,-7.83,;2.7,-8.6,;1.37,-7.83,;2.7,-10.15,;4.04,-10.92,;5.37,-10.14,;6.7,-10.91,;6.71,-12.45,;8.04,-13.21,;8.04,-14.75,;9.37,-15.52,;10.71,-14.74,;12.04,-15.51,;10.7,-13.19,;9.36,-12.43,;8.04,-10.13,;9.38,-10.9,)| Show InChI InChI=1S/C23H23BrFN3O2/c1-14-2-8-19(9-3-14)27-22(29)20-11-16-10-17(24)12-26-21(16)28(23(20)30)13-15-4-6-18(25)7-5-15/h4-7,10-12,14,19H,2-3,8-9,13H2,1H3,(H,27,29)/t14-,19+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236020 (US9365562, 58) Show SMILES Cc1nc(Cc2ccc(F)cc2)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C26H25FN8/c1-16-28-23(34-14-19(15-34)26-31-21-6-4-5-7-22(21)33(26)3)13-25(29-16)35-24(30-17(2)32-35)12-18-8-10-20(27)11-9-18/h4-11,13,19H,12,14-15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.120	-56.6	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236035 (US9365562, 73) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(OCc2ccnn2C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C24H26N10O/c1-15-26-16(2)34(30-15)22-11-21(28-24(29-22)35-14-18-9-10-25-32(18)4)33-12-17(13-33)23-27-19-7-5-6-8-20(19)31(23)3/h5-11,17H,12-14H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	-56.4	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50029963 (CHEMBL3353452) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(cnc2n(CCN2CCOCC2)c1=O)-c1cccs1 |(26.44,-2.21,;25.11,-2.98,;25.11,-4.52,;23.79,-5.29,;22.45,-4.52,;22.44,-2.99,;23.77,-2.21,;21.12,-5.3,;19.78,-4.54,;19.77,-3,;18.45,-5.31,;17.12,-4.55,;15.79,-5.33,;14.46,-4.56,;13.13,-5.33,;13.13,-6.88,;14.46,-7.65,;15.79,-6.87,;17.13,-7.64,;17.13,-9.17,;18.46,-9.94,;18.47,-11.48,;17.14,-12.25,;17.14,-13.78,;18.47,-14.56,;19.81,-13.79,;19.81,-12.24,;18.46,-6.86,;19.8,-7.63,;11.79,-4.56,;10.38,-5.19,;9.35,-4.05,;10.12,-2.71,;11.63,-3.03,)| Show InChI InChI=1S/C26H32N4O3S/c1-18-4-6-21(7-5-18)28-25(31)22-16-19-15-20(23-3-2-14-34-23)17-27-24(19)30(26(22)32)9-8-29-10-12-33-13-11-29/h2-3,14-18,21H,4-13H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50029958 (CHEMBL3353439) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(Br)cnc2n(Cc2ccc(F)cc2)c1=O |(16.02,-5.47,;14.69,-6.25,;14.69,-7.79,;13.37,-8.56,;12.03,-7.79,;12.02,-6.26,;13.35,-5.48,;10.7,-8.57,;9.36,-7.8,;9.35,-6.26,;8.03,-8.58,;6.69,-7.82,;5.37,-8.6,;4.03,-7.83,;2.7,-8.6,;1.37,-7.83,;2.7,-10.15,;4.04,-10.92,;5.37,-10.14,;6.7,-10.91,;6.71,-12.45,;8.04,-13.21,;8.04,-14.75,;9.37,-15.52,;10.71,-14.74,;12.04,-15.51,;10.7,-13.19,;9.36,-12.43,;8.04,-10.13,;9.38,-10.9,)| Show InChI InChI=1S/C23H23BrFN3O2/c1-14-2-8-19(9-3-14)27-22(29)20-11-16-10-17(24)12-26-21(16)28(23(20)30)13-15-4-6-18(25)7-5-15/h4-7,10-12,14,19H,2-3,8-9,13H2,1H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM235985 (US9365562, 23) Show SMILES CSc1nc(cc(n1)-n1nc(C)nc1C)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C20H22N8S/c1-12-21-13(2)28(25-12)18-9-17(23-20(24-18)29-4)27-10-14(11-27)19-22-15-7-5-6-8-16(15)26(19)3/h5-9,14H,10-11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	-55.4	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236018 (US9365562, 56) Show SMILES Cc1nc(-c2c(F)cccc2F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C |(-6.46,-3.49,;-5.96,-2.03,;-6.8,-.72,;-5.9,.53,;-6.29,2.02,;-7.78,2.41,;-8.87,1.33,;-8.18,3.9,;-7.09,4.99,;-5.6,4.59,;-5.21,3.11,;-3.72,3.5,;-4.43,.05,;-4.43,-1.49,;-3.1,.82,;-1.76,.05,;-.43,.82,;-.43,2.36,;-1.76,3.19,;-1.76,4.73,;-3.1,2.36,;.9,.05,;1.3,-1.43,;2.79,-1.04,;2.39,.45,;4.12,-1.81,;4.28,-3.34,;5.79,-3.66,;6.56,-4.99,;8.1,-4.99,;8.87,-3.66,;8.1,-2.32,;6.56,-2.32,;5.53,-1.18,;5.85,.33,)| Show InChI InChI=1S/C25H22F2N8/c1-14-28-21(34-12-16(13-34)24-31-19-9-4-5-10-20(19)33(24)3)11-22(29-14)35-25(30-15(2)32-35)23-17(26)7-6-8-18(23)27/h4-11,16H,12-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.240	-54.9	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236010 (US9365562, 48) Show SMILES Cc1nc(CN2CCCC2=O)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C24H27N9O/c1-15-25-20(32-12-17(13-32)24-28-18-7-4-5-8-19(18)30(24)3)11-21(26-15)33-22(27-16(2)29-33)14-31-10-6-9-23(31)34/h4-5,7-8,11,17H,6,9-10,12-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.260	-54.7	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236039 (US9365562, 77) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(n1)-n1ccnc1C)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C23H24N10/c1-14-25-16(3)33(29-14)21-11-20(27-23(28-21)32-10-9-24-15(32)2)31-12-17(13-31)22-26-18-7-5-6-8-19(18)30(22)4/h5-11,17H,12-13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.260	-54.7	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50029962 (CHEMBL3353450) Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cc(cnc2n(Cc2ccc(F)cc2)c1=O)-c1ccco1 |r,wU:4.7,1.0,(23.36,-18.24,;22.03,-19.01,;22.03,-20.55,;20.71,-21.32,;19.37,-20.55,;19.36,-19.02,;20.69,-18.24,;18.04,-21.33,;16.7,-20.57,;16.69,-19.03,;15.37,-21.34,;14.04,-20.58,;12.71,-21.36,;11.37,-20.59,;10.05,-21.36,;10.04,-22.91,;11.38,-23.68,;12.71,-22.9,;14.05,-23.67,;14.05,-25.21,;15.38,-25.97,;15.38,-27.51,;16.71,-28.28,;18.05,-27.5,;19.38,-28.27,;18.04,-25.96,;16.71,-25.2,;15.38,-22.89,;16.72,-23.66,;8.71,-20.59,;7.3,-21.22,;6.26,-20.08,;7.03,-18.74,;8.54,-19.06,)| Show InChI InChI=1S/C27H26FN3O3/c1-17-4-10-22(11-5-17)30-26(32)23-14-19-13-20(24-3-2-12-34-24)15-29-25(19)31(27(23)33)16-18-6-8-21(28)9-7-18/h2-3,6-9,12-15,17,22H,4-5,10-11,16H2,1H3,(H,30,32)/t17-,22+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236034 (US9365562, 72) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(OCc2nccs2)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C23H23N9OS/c1-14-25-15(2)32(29-14)20-10-19(27-23(28-20)33-13-21-24-8-9-34-21)31-11-16(12-31)22-26-17-6-4-5-7-18(17)30(22)3/h4-10,16H,11-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.280	-54.5	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236029 (US9365562, 67) Show SMILES CCc1nc(C)nn1-c1cc(nc(n1)C(F)(F)F)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C21H21F3N8/c1-4-16-25-12(2)29-32(16)18-9-17(27-20(28-18)21(22,23)24)31-10-13(11-31)19-26-14-7-5-6-8-15(14)30(19)3/h5-9,13H,4,10-11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.280	-54.5	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236041 (US9365562, 79) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(n1)C#N)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C20H19N9/c1-12-22-13(2)29(26-12)19-8-18(24-17(9-21)25-19)28-10-14(11-28)20-23-15-6-4-5-7-16(15)27(20)3/h4-8,14H,10-11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.280	-54.5	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236040 (US9365562, 78) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(n1)N1CCCC1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C23H27N9/c1-15-24-16(2)32(28-15)21-12-20(26-23(27-21)30-10-6-7-11-30)31-13-17(14-31)22-25-18-8-4-5-9-19(18)29(22)3/h4-5,8-9,12,17H,6-7,10-11,13-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.290	-54.4	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM41571 (US8569281, 52) Show SMILES Cn1cc(\C=C\c2n[nH]c3ccnc(OC4CCCCC4)c23)cn1 Show InChI InChI=1S/C15H21N5O3S/c1-10-8-11(19-23-10)14(21)16-5-4-13-18-12(9-24-13)15(22)17-6-7-20(2)3/h8-9H,4-7H2,1-3H3,(H,16,21)(H,17,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology; Genentech, Inc. US Patent					Assay Description This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining Kiapp, IC50 or percent inhibition values.				US Patent US8569281 (2013) BindingDB Entry DOI: 10.7270/Q2DN43PM
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM182716 (US9145402, 23 | US9145402, 36) Show SMILES CNc1nc(Nc2cc(C)c(cc2OC)S(C)(=O)=O)ncc1C(F)(F)F Show InChI InChI=1S/C15H17F3N4O3S/c1-8-5-10(11(25-3)6-12(8)26(4,23)24)21-14-20-7-9(15(16,17)18)13(19-2)22-14/h5-7H,1-4H3,(H2,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 38...				US Patent US9145402 (2015) BindingDB Entry DOI: 10.7270/Q2J67FQ3
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236012 (US9365562, 50) Show SMILES Cc1nc(-c2ccccc2Cl)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C25H23ClN8/c1-15-27-22(33-13-17(14-33)24-30-20-10-6-7-11-21(20)32(24)3)12-23(28-15)34-25(29-16(2)31-34)18-8-4-5-9-19(18)26/h4-12,17H,13-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.350	-54.0	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50029965 (CHEMBL3353454) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(cnc2n(CCN2CCOCC2)c1=O)-c1ccco1 |(22.89,-5.18,;21.56,-5.95,;21.56,-7.49,;20.23,-8.26,;18.89,-7.49,;18.88,-5.96,;20.22,-5.18,;17.56,-8.27,;16.23,-7.51,;16.22,-5.97,;14.9,-8.28,;13.56,-7.52,;12.24,-8.3,;10.9,-7.53,;9.57,-8.3,;9.57,-9.85,;10.91,-10.62,;12.24,-9.84,;13.57,-10.61,;13.58,-12.14,;14.91,-12.91,;14.91,-14.45,;13.59,-15.22,;13.59,-16.75,;14.92,-17.53,;16.25,-16.76,;16.26,-15.21,;14.91,-9.83,;16.24,-10.6,;8.24,-7.53,;6.83,-8.16,;5.79,-7.02,;6.56,-5.68,;8.07,-6,)| Show InChI InChI=1S/C26H32N4O4/c1-18-4-6-21(7-5-18)28-25(31)22-16-19-15-20(23-3-2-12-34-23)17-27-24(19)30(26(22)32)9-8-29-10-13-33-14-11-29/h2-3,12,15-18,21H,4-11,13-14H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236032 (US9365562, 70) Show SMILES CC(C)Oc1nc(cc(n1)-n1nc(C)nc1C)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C22H26N8O/c1-13(2)31-22-25-19(10-20(26-22)30-15(4)23-14(3)27-30)29-11-16(12-29)21-24-17-8-6-7-9-18(17)28(21)5/h6-10,13,16H,11-12H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.380	-53.8	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12 (Homo sapiens (Human))	BDBM301575 (BDBM301631 | US10131675, Example 61) Show SMILES CCN(C1CC1)c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1 Show InChI InChI=1S/C19H24N8O/c1-4-26(12-5-6-12)15-13-16(27-7-8-28-19(2,3)17(27)23-13)25-14(24-15)11-9-21-18(20)22-10-11/h9-10,12H,4-8H2,1-3H3,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...				US Patent US10131675 (2018) BindingDB Entry DOI: 10.7270/Q21G0P92
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236033 (US9365562, 71) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(OCc2ccno2)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C23H23N9O2/c1-14-25-15(2)32(29-14)21-10-20(27-23(28-21)33-13-17-8-9-24-34-17)31-11-16(12-31)22-26-18-6-4-5-7-19(18)30(22)3/h4-10,16H,11-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	-53.6	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236026 (US9365562, 64) Show SMILES CCc1nc(C)nn1-c1cc(nc(OC)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C21H24N8O/c1-5-17-22-13(2)26-29(17)19-10-18(24-21(25-19)30-4)28-11-14(12-28)20-23-15-8-6-7-9-16(15)27(20)3/h6-10,14H,5,11-12H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	-53.6	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236000 (US9365562, 38) Show SMILES CCCc1nc(C)nn1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C22H26N8/c1-5-8-19-25-15(3)27-30(19)21-11-20(23-14(2)24-21)29-12-16(13-29)22-26-17-9-6-7-10-18(17)28(22)4/h6-7,9-11,16H,5,8,12-13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.410	-53.6	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236023 (US9365562, 61) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(n1)C1CC1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C22H24N8/c1-13-23-14(2)30(27-13)20-10-19(25-21(26-20)15-8-9-15)29-11-16(12-29)22-24-17-6-4-5-7-18(17)28(22)3/h4-7,10,15-16H,8-9,11-12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.460	-53.3	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236005 (US9365562, 43) Show SMILES COC(=O)CCc1nc(C)nn1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C23H26N8O2/c1-14-24-20(11-21(25-14)31-19(26-15(2)28-31)9-10-22(32)33-4)30-12-16(13-30)23-27-17-7-5-6-8-18(17)29(23)3/h5-8,11,16H,9-10,12-13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.490	-53.1	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236036 (US9365562, 74) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(OCc2ccon2)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C23H23N9O2/c1-14-24-15(2)32(28-14)21-10-20(26-23(27-21)33-13-17-8-9-34-29-17)31-11-16(12-31)22-25-18-6-4-5-7-19(18)30(22)3/h4-10,16H,11-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.490	-53.1	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50507669 (CHEMBL4539170) Show SMILES CCc1cc(nn1C)-c1n[nH]c2ccnc(NC3CCOCC3)c12 Show InChI InChI=1S/C17H22N6O/c1-3-12-10-14(22-23(12)2)16-15-13(20-21-16)4-7-18-17(15)19-11-5-8-24-9-6-11/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,18,19)(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in insect cells using RtGWWRFYTLRRAR...				Bioorg Med Chem Lett 29: 674-680 (2019) Article DOI: 10.1016/j.bmcl.2018.10.017 BindingDB Entry DOI: 10.7270/Q2HH6PCX
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM235968 (US9365562, 6) Show SMILES Cc1cnn(c1)-c1cc(nc(n1)C1CC1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C22H23N7/c1-14-10-23-29(11-14)20-9-19(25-21(26-20)15-7-8-15)28-12-16(13-28)22-24-17-5-3-4-6-18(17)27(22)2/h3-6,9-11,15-16H,7-8,12-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.530	-52.9	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM235995 (US9365562, 33) Show SMILES Cc1cnn(n1)-c1cc(nc(n1)C1CC1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C21H22N8/c1-13-10-22-29(26-13)19-9-18(24-20(25-19)14-7-8-14)28-11-15(12-28)21-23-16-5-3-4-6-17(16)27(21)2/h3-6,9-10,14-15H,7-8,11-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.540	-52.9	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50029989 (CHEMBL3353437) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCCCCF)c1=O |(30.62,1.62,;29.29,.84,;29.29,-.7,;27.97,-1.47,;26.63,-.7,;26.62,.83,;27.95,1.62,;25.3,-1.48,;23.96,-.72,;23.95,.83,;22.63,-1.5,;21.29,-.74,;19.97,-1.51,;18.63,-.75,;17.3,-1.52,;17.3,-3.06,;18.63,-3.83,;19.97,-3.05,;21.3,-3.82,;21.31,-5.36,;22.64,-6.13,;22.65,-7.67,;23.98,-8.43,;23.98,-9.97,;22.65,-10.75,;22.64,-3.05,;23.97,-3.81,)| Show InChI InChI=1S/C21H28FN3O2/c1-15-7-9-17(10-8-15)24-20(26)18-14-16-6-5-12-23-19(16)25(21(18)27)13-4-2-3-11-22/h5-6,12,14-15,17H,2-4,7-11,13H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM129179 (US8802674, 282) Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)NC2CCN(C)CC2)ncc1C(F)(F)F Show InChI InChI=1S/C20H25F3N6O2/c1-24-17-14(20(21,22)23)11-25-19(28-17)27-15-5-4-12(10-16(15)31-3)18(30)26-13-6-8-29(2)9-7-13/h4-5,10-11,13H,6-9H2,1-3H3,(H,26,30)(H2,24,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...				US Patent US8802674 (2014) BindingDB Entry DOI: 10.7270/Q2GF0S6N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50180022 (5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...) Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM129199 (US8802674, 306) Show SMILES CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCC[C@H]2COC)ncc1C(F)(F)F |r| Show InChI InChI=1S/C21H25F4N5O3/c1-4-26-18-14(21(23,24)25)10-27-20(29-18)28-16-9-15(22)13(8-17(16)33-3)19(31)30-7-5-6-12(30)11-32-2/h8-10,12H,4-7,11H2,1-3H3,(H2,26,27,28,29)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...				US Patent US8802674 (2014) BindingDB Entry DOI: 10.7270/Q2GF0S6N
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM235964 (US9365562, 2) Show SMILES Cc1cnn(c1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C20H21N7/c1-13-9-21-27(10-13)19-8-18(22-14(2)23-19)26-11-15(12-26)20-24-16-6-4-5-7-17(16)25(20)3/h4-10,15H,11-12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.610	-52.6	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236038 (US9365562, 76) Show SMILES Cc1nc(C)n(n1)-c1cc(nc(n1)-n1cccn1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C22H22N10/c1-14-24-15(2)32(28-14)20-11-19(26-22(27-20)31-10-6-9-23-31)30-12-16(13-30)21-25-17-7-4-5-8-18(17)29(21)3/h4-11,16H,12-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.610	-52.6	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM235970 (US9365562, 8) Show SMILES Cc1cn(nc1C)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C21H23N7/c1-13-10-28(25-14(13)2)20-9-19(22-15(3)23-20)27-11-16(12-27)21-24-17-7-5-6-8-18(17)26(21)4/h5-10,16H,11-12H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.630	-52.5	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM235976 (US9365562, 14) Show SMILES CC(C)c1ccn(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C22H25N7/c1-14(2)17-9-10-29(26-17)21-11-20(23-15(3)24-21)28-12-16(13-28)22-25-18-7-5-6-8-19(18)27(22)4/h5-11,14,16H,12-13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.650	-52.4	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50029972 (CHEMBL3353448) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(cnc2n(Cc2ccc(F)cc2)c1=O)-c1ccco1 |(23.36,-18.24,;22.03,-19.01,;22.03,-20.55,;20.71,-21.32,;19.37,-20.55,;19.36,-19.02,;20.69,-18.24,;18.04,-21.33,;16.7,-20.57,;16.69,-19.03,;15.37,-21.34,;14.04,-20.58,;12.71,-21.36,;11.37,-20.59,;10.05,-21.36,;10.04,-22.91,;11.38,-23.68,;12.71,-22.9,;14.05,-23.67,;14.05,-25.21,;15.38,-25.97,;15.38,-27.51,;16.71,-28.28,;18.05,-27.5,;19.38,-28.27,;18.04,-25.96,;16.71,-25.2,;15.38,-22.89,;16.72,-23.66,;8.71,-20.59,;7.3,-21.22,;6.26,-20.08,;7.03,-18.74,;8.54,-19.06,)| Show InChI InChI=1S/C27H26FN3O3/c1-17-4-10-22(11-5-17)30-26(32)23-14-19-13-20(24-3-2-12-34-24)15-29-25(19)31(27(23)33)16-18-6-8-21(28)9-7-18/h2-3,6-9,12-15,17,22H,4-5,10-11,16H2,1H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50029964 (CHEMBL3353453) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(cnc2n(CCN2CCOCC2)c1=O)-c1ccc(F)cc1 |(17.97,-16.85,;16.63,-17.62,;16.64,-19.16,;15.31,-19.93,;13.97,-19.16,;13.96,-17.63,;15.3,-16.86,;12.64,-19.94,;11.31,-19.18,;11.3,-17.64,;9.98,-19.96,;8.64,-19.2,;7.32,-19.97,;5.98,-19.21,;4.65,-19.98,;4.65,-21.52,;5.98,-22.29,;7.32,-21.51,;8.65,-22.28,;8.66,-23.82,;9.99,-24.58,;9.99,-26.12,;8.67,-26.89,;8.67,-28.43,;10,-29.2,;11.33,-28.43,;11.33,-26.89,;9.99,-21.51,;11.32,-22.27,;3.32,-19.21,;3.31,-17.66,;1.97,-16.9,;.64,-17.67,;-.7,-16.9,;.64,-19.22,;1.98,-19.98,)| Show InChI InChI=1S/C28H33FN4O3/c1-19-2-8-24(9-3-19)31-27(34)25-17-21-16-22(20-4-6-23(29)7-5-20)18-30-26(21)33(28(25)35)11-10-32-12-14-36-15-13-32/h4-7,16-19,24H,2-3,8-15H2,1H3,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236037 (US9365562, 75) Show SMILES Cc1noc(COc2nc(cc(n2)-n2nc(C)nc2C)N2CC(C2)c2nc3ccccc3n2C)n1 Show InChI InChI=1S/C23H24N10O2/c1-13-24-15(3)33(29-13)20-9-19(27-23(28-20)34-12-21-25-14(2)30-35-21)32-10-16(11-32)22-26-17-7-5-6-8-18(17)31(22)4/h5-9,16H,10-12H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	-52.3	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50448127 (CHEMBL3122119 | US9212173, 44) Show SMILES CCNc1nc(Nc2cc(nn2C)C(C)(C)C#N)ncc1C(F)(F)F Show InChI InChI=1S/C15H18F3N7/c1-5-20-12-9(15(16,17)18)7-21-13(23-12)22-11-6-10(24-25(11)4)14(2,3)8-19/h6-7H,5H2,1-4H3,(H2,20,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 (unknown origin)				J Med Chem 57: 921-36 (2014) Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50448118 (CHEMBL3122113 | US10590114, No. 80 | US11111235, N...) Show SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F Show InChI InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 (unknown origin)				J Med Chem 57: 921-36 (2014) Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM235975 (US9365562, 13) Show SMILES Cc1nc(cc(n1)-n1ccc(n1)C1CC1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C22H23N7/c1-14-23-20(11-21(24-14)29-10-9-17(26-29)15-7-8-15)28-12-16(13-28)22-25-18-5-3-4-6-19(18)27(22)2/h3-6,9-11,15-16H,7-8,12-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.740	-52.1	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236024 (US9365562, 62) Show SMILES COc1nc(cc(n1)-n1nc(C)nc1C)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C20H22N8O/c1-12-21-13(2)28(25-12)18-9-17(23-20(24-18)29-4)27-10-14(11-27)19-22-15-7-5-6-8-16(15)26(19)3/h5-9,14H,10-11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.760	-52.0	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM235973 (US9365562, 11) Show SMILES Cc1nc(cc(n1)-n1ccc(n1)C(F)(F)F)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C20H18F3N7/c1-12-24-17(9-18(25-12)30-8-7-16(27-30)20(21,22)23)29-10-13(11-29)19-26-14-5-3-4-6-15(14)28(19)2/h3-9,13H,10-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.760	-52.0	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM129173 (US8802674, 276) Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(CC2)N(C)C)ncc1C(F)(F)F Show InChI InChI=1S/C21H27F3N6O2/c1-25-18-15(21(22,23)24)12-26-20(28-18)27-16-6-5-13(11-17(16)32-4)19(31)30-9-7-14(8-10-30)29(2)3/h5-6,11-12,14H,7-10H2,1-4H3,(H2,25,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...				US Patent US8802674 (2014) BindingDB Entry DOI: 10.7270/Q2GF0S6N
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM235997 (US9365562, 35) Show SMILES CCc1nc(C)nn1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C21H24N8/c1-5-18-24-14(3)26-29(18)20-10-19(22-13(2)23-20)28-11-15(12-28)21-25-16-8-6-7-9-17(16)27(21)4/h6-10,15H,5,11-12H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.810	-51.9	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM235966 (US9365562, 4) Show SMILES COc1nc(cc(n1)-n1cc(C)cn1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C20H21N7O/c1-13-9-21-27(10-13)18-8-17(23-20(24-18)28-3)26-11-14(12-26)19-22-15-6-4-5-7-16(15)25(19)2/h4-10,14H,11-12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.820	-51.9	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236059 (US9365562, 97) Show SMILES Cc1ccc(nc1)-c1cc(nc(n1)C(F)(F)F)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C22H19F3N6/c1-13-7-8-15(26-10-13)17-9-19(29-21(28-17)22(23,24)25)31-11-14(12-31)20-27-16-5-3-4-6-18(16)30(20)2/h3-10,14H,11-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.900	-51.6	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
					More data for this Ligand-Target Pair

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