Compile Data Set for Download or QSAR

Found 2001 hits with Last Name = 'helal' and Initial = 'cj'   

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))	BDBM50398003 (CHEMBL2180402) Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(OC(C)C)c3C2=O)nc2nc(C)ccc2c1=O Show InChI InChI=1S/C28H26N4O5/c1-16(2)37-22-7-5-6-20-24(22)28(35)31(26(20)33)15-14-23-30-25-21(13-8-17(3)29-25)27(34)32(23)18-9-11-19(36-4)12-10-18/h5-13,16H,14-15H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398003 (CHEMBL2180402) Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(OC(C)C)c3C2=O)nc2nc(C)ccc2c1=O Show InChI InChI=1S/C28H26N4O5/c1-16(2)37-22-7-5-6-20-24(22)28(35)31(26(20)33)15-14-23-30-25-21(13-8-17(3)29-25)27(34)32(23)18-9-11-19(36-4)12-10-18/h5-13,16H,14-15H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398012 (CHEMBL2180422 | US8492392, 1-17) Show SMILES CC(C)Oc1nc(nc2CCN(Cc12)S(=O)(=O)c1cccnc1)-c1ccc(Cl)nc1 Show InChI InChI=1S/C20H20ClN5O3S/c1-13(2)29-20-16-12-26(30(27,28)15-4-3-8-22-11-15)9-7-17(16)24-19(25-20)14-5-6-18(21)23-10-14/h3-6,8,10-11,13H,7,9,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398013 (CHEMBL2180421 | US8492392, K-2) Show SMILES CC(C)Oc1nc(nc2CCN(Cc12)C(=O)Nc1cnn(C)c1)-c1ccc(Cl)nc1 Show InChI InChI=1S/C20H22ClN7O2/c1-12(2)30-19-15-11-28(20(29)24-14-9-23-27(3)10-14)7-6-16(15)25-18(26-19)13-4-5-17(21)22-8-13/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398011 (CHEMBL2180423 | US8492392, O-2) Show SMILES COCCOc1nc(nc2CCN(Cc12)C(=O)c1cnn2ccccc12)-c1ccc(Cl)nc1 Show InChI InChI=1S/C23H21ClN6O3/c1-32-10-11-33-22-17-14-29(23(31)16-13-26-30-8-3-2-4-19(16)30)9-7-18(17)27-21(28-22)15-5-6-20(24)25-12-15/h2-6,8,12-13H,7,9-11,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398004 (CHEMBL2180401) Show SMILES COc1cccc2C(=O)N(CCc3nc4ccccc4c(=O)n3-c3ccc4cnn(C)c4c3)C(=O)c12 Show InChI InChI=1S/C27H21N5O4/c1-30-21-14-17(11-10-16(21)15-28-30)32-23(29-20-8-4-3-6-18(20)26(32)34)12-13-31-25(33)19-7-5-9-22(36-2)24(19)27(31)35/h3-11,14-15H,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398008 (CHEMBL2180426) Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(OC)c3C2=O)nc2ccccc2c1=O Show InChI InChI=1S/C26H21N3O5/c1-33-17-12-10-16(11-13-17)29-22(27-20-8-4-3-6-18(20)25(29)31)14-15-28-24(30)19-7-5-9-21(34-2)23(19)26(28)32/h3-13H,14-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM119778 (CHEMBL2180429 | US8691827, I-9) Show SMILES O=C(Nc1ccccc1)N1CCc2nc(nc(NCc3cnc([nH]3)-c3ccccc3)c2C1)-c1cccnc1 Show InChI InChI=1S/C29H26N8O/c38-29(34-22-11-5-2-6-12-22)37-15-13-25-24(19-37)28(36-27(35-25)21-10-7-14-30-16-21)32-18-23-17-31-26(33-23)20-8-3-1-4-9-20/h1-12,14,16-17H,13,15,18-19H2,(H,31,33)(H,34,38)(H,32,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
Phosphodiesterase 2A (Rattus norvegicus)	BDBM107767 (US8598155, 2) Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(F)(F)F)c2c(ncnn12)N1CCC1 Show InChI InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Displacement of radiolabeled 4-(azetidin-1-yl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-1-(tritritiomethyl)pyrazolo[3,4-d]pyrimidine from PD...				J Med Chem 61: 1001-1018 (2018) Article DOI: 10.1021/acs.jmedchem.7b01466 BindingDB Entry DOI: 10.7270/Q2ZS2ZZ4
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398005 (CHEMBL2180430 | US8691827, I-8) Show SMILES CC(C)CC(=O)N1CCc2nc(nc(N(C)Cc3ccccc3)c2C1)-c1cncc(c1)-c1cn[nH]c1 Show InChI InChI=1S/C28H31N7O/c1-19(2)11-26(36)35-10-9-25-24(18-35)28(34(3)17-20-7-5-4-6-8-20)33-27(32-25)22-12-21(13-29-14-22)23-15-30-31-16-23/h4-8,12-16,19H,9-11,17-18H2,1-3H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398007 (CHEMBL2180428 | US8691827, I-1) Show SMILES O=C(Nc1ccccc1)N1CCc2nc(nc(NCCc3ccccn3)c2C1)-c1ccncc1 Show InChI InChI=1S/C26H25N7O/c34-26(30-21-7-2-1-3-8-21)33-17-12-23-22(18-33)25(29-16-11-20-6-4-5-13-28-20)32-24(31-23)19-9-14-27-15-10-19/h1-10,13-15H,11-12,16-18H2,(H,30,34)(H,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398010 (CHEMBL2180424) Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O Show InChI InChI=1S/C25H19N3O4/c1-32-17-12-10-16(11-13-17)28-22(26-21-9-5-4-8-20(21)25(28)31)14-15-27-23(29)18-6-2-3-7-19(18)24(27)30/h2-13H,14-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
Cytochrome P450 3A (Homo sapiens (Human))	BDBM50088503 (CHEMBL3527048) Show SMILES Cc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC[C@@H](C3)N3CCCCC3)c12 Show InChI InChI=1S/C26H32N8/c1-18-7-9-19(10-8-18)24-21(15-29-31(24)2)23-22-25(32(3)30-23)27-17-28-26(22)34-14-11-20(16-34)33-12-5-4-6-13-33/h7-10,15,17,20H,4-6,11-14,16H2,1-3H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of midazolam 1'-hydroxylase activity of human recombinant CYP3A4 harboring human P450 oxidoreductase and b5 assessed as decrease in enzyme...				Drug Metab Dispos 40: 1686-97 (2012) Article DOI: 10.1124/dmd.112.045302 BindingDB Entry DOI: 10.7270/Q2GT5PW2
					More data for this Ligand-Target Pair
Cytochrome P450 3A (Homo sapiens (Human))	BDBM50088503 (CHEMBL3527048) Show SMILES Cc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC[C@@H](C3)N3CCCCC3)c12 Show InChI InChI=1S/C26H32N8/c1-18-7-9-19(10-8-18)24-21(15-29-31(24)2)23-22-25(32(3)30-23)27-17-28-26(22)34-14-11-20(16-34)33-12-5-4-6-13-33/h7-10,15,17,20H,4-6,11-14,16H2,1-3H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of testosterone 6beta-hydroxylase activity of human recombinant CYP3A4 in presence of human P450 oxidoreductase and b5 assessed as decreas...				Drug Metab Dispos 40: 1686-97 (2012) Article DOI: 10.1124/dmd.112.045302 BindingDB Entry DOI: 10.7270/Q2GT5PW2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50398789 (CHEMBL2180073) Show SMILES C[C@@H](N1CC(C1)Oc1ccccc1)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 Show InChI InChI=1S/C21H25N5O3/c1-14(25-12-17(13-25)29-16-5-3-2-4-6-16)19-23-20-18(21(27)24-19)11-22-26(20)15-7-9-28-10-8-15/h2-6,11,14-15,17H,7-10,12-13H2,1H3,(H,23,24,27)/t14-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	293	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of human DAT				J Med Chem 55: 9055-68 (2012) Article DOI: 10.1021/jm3009635 BindingDB Entry DOI: 10.7270/Q2CR5VHK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50003985 (CHEMBL2180436) Show SMILES O=S(=O)(N1CCOCC1)c1cccc2CCN(Cc12)c1nc(NCc2ccncc2)c2ccncc2n1 Show InChI InChI=1S/C26H27N7O3S/c34-37(35,33-12-14-36-15-13-33)24-3-1-2-20-7-11-32(18-22(20)24)26-30-23-17-28-10-6-21(23)25(31-26)29-16-19-4-8-27-9-5-19/h1-6,8-10,17H,7,11-16,18H2,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50003983 (CHEMBL2180435) Show SMILES C(Oc1nc(nc2cnccc12)-c1cccc(c1)-c1ncco1)c1ccncc1 Show InChI InChI=1S/C22H15N5O2/c1-2-16(12-17(3-1)21-25-10-11-28-21)20-26-19-13-24-9-6-18(19)22(27-20)29-14-15-4-7-23-8-5-15/h1-13H,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50003984 (CHEMBL2180437) Show SMILES COC(=O)NC1CCCN(C1)c1nc(nc2cnccc12)-c1cccc(c1)-c1cccnc1OC Show InChI InChI=1S/C26H26N6O3/c1-34-25-20(9-4-11-28-25)17-6-3-7-18(14-17)23-30-22-15-27-12-10-21(22)24(31-23)32-13-5-8-19(16-32)29-26(33)35-2/h3-4,6-7,9-12,14-15,19H,5,8,13,16H2,1-2H3,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50003980 (CHEMBL2180434) Show SMILES Cc1ncccc1-c1cccc(c1)-c1nc(NCc2ccncc2)c2ccncc2n1 Show InChI InChI=1S/C25H20N6/c1-17-21(6-3-10-28-17)19-4-2-5-20(14-19)24-30-23-16-27-13-9-22(23)25(31-24)29-15-18-7-11-26-12-8-18/h2-14,16H,15H2,1H3,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50003979 (CHEMBL2180433) Show SMILES C(Oc1ccc(cc1)-c1cccnc1N1CCc2ncccc2C1)c1ccc2ccccc2n1 Show InChI InChI=1S/C29H24N4O/c1-2-8-28-22(5-1)9-12-24(32-28)20-34-25-13-10-21(11-14-25)26-7-4-17-31-29(26)33-18-15-27-23(19-33)6-3-16-30-27/h1-14,16-17H,15,18-20H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50003981 (CHEMBL2180431) Show SMILES COc1c(C)cc(COc2ccc(cc2)-c2cccnc2N2CCc3ncccc3C2)nc1C Show InChI InChI=1S/C28H28N4O2/c1-19-16-23(31-20(2)27(19)33-3)18-34-24-10-8-21(9-11-24)25-7-5-14-30-28(25)32-15-12-26-22(17-32)6-4-13-29-26/h4-11,13-14,16H,12,15,17-18H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50003982 (CHEMBL2180432) Show SMILES C(Oc1ccc(cc1)-c1cccnc1N1CCOCC1)c1ccc2ccccc2n1 Show InChI InChI=1S/C25H23N3O2/c1-2-6-24-20(4-1)7-10-21(27-24)18-30-22-11-8-19(9-12-22)23-5-3-13-26-25(23)28-14-16-29-17-15-28/h1-13H,14-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (CYP3A5) (Homo sapiens (Human))	BDBM50088503 (CHEMBL3527048) Show SMILES Cc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC[C@@H](C3)N3CCCCC3)c12 Show InChI InChI=1S/C26H32N8/c1-18-7-9-19(10-8-18)24-21(15-29-31(24)2)23-22-25(32(3)30-23)27-17-28-26(22)34-14-11-20(16-34)33-12-5-4-6-13-33/h7-10,15,17,20H,4-6,11-14,16H2,1-3H3/t20-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of testosterone 6beta-hydroxylase activity of human recombinant CYP3A5 in presence of human P450 oxidoreductase and b5 assessed as decreas...				Drug Metab Dispos 40: 1686-97 (2012) Article DOI: 10.1124/dmd.112.045302 BindingDB Entry DOI: 10.7270/Q2GT5PW2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50398807 (CHEMBL2180074) Show SMILES CC(N1CC(C1)Oc1ccc(F)cc1)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 Show InChI InChI=1S/C21H24FN5O3/c1-13(26-11-17(12-26)30-16-4-2-14(22)3-5-16)19-24-20-18(21(28)25-19)10-23-27(20)15-6-8-29-9-7-15/h2-5,10,13,15,17H,6-9,11-12H2,1H3,(H,24,25,28)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of human DAT				J Med Chem 55: 9055-68 (2012) Article DOI: 10.1021/jm3009635 BindingDB Entry DOI: 10.7270/Q2CR5VHK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398009 (CHEMBL2180425) Show SMILES COc1ccc(cc1)-n1c(CN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O Show InChI InChI=1S/C24H17N3O4/c1-31-16-12-10-15(11-13-16)27-21(25-20-9-5-4-8-19(20)24(27)30)14-26-22(28)17-6-2-3-7-18(17)23(26)29/h2-13H,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (CYP3A5) (Homo sapiens (Human))	BDBM50088503 (CHEMBL3527048) Show SMILES Cc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC[C@@H](C3)N3CCCCC3)c12 Show InChI InChI=1S/C26H32N8/c1-18-7-9-19(10-8-18)24-21(15-29-31(24)2)23-22-25(32(3)30-23)27-17-28-26(22)34-14-11-20(16-34)33-12-5-4-6-13-33/h7-10,15,17,20H,4-6,11-14,16H2,1-3H3/t20-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of midazolam 1'-hydroxylase activity of human recombinant CYP3A5 harboring human P450 oxidoreductase and b5 assessed as decrease in enzyme...				Drug Metab Dispos 40: 1686-97 (2012) Article DOI: 10.1124/dmd.112.045302 BindingDB Entry DOI: 10.7270/Q2GT5PW2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50398800 (CHEMBL2180069) Show SMILES C[C@@H](N1CC(C1)Oc1ncccn1)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 Show InChI InChI=1S/C19H23N7O3/c1-12(25-10-14(11-25)29-19-20-5-2-6-21-19)16-23-17-15(18(27)24-16)9-22-26(17)13-3-7-28-8-4-13/h2,5-6,9,12-14H,3-4,7-8,10-11H2,1H3,(H,23,24,27)/t12-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of human DAT				J Med Chem 55: 9055-68 (2012) Article DOI: 10.1021/jm3009635 BindingDB Entry DOI: 10.7270/Q2CR5VHK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50398804 (CHEMBL2177497) Show SMILES CC(N1CC(C1)Oc1ccc(cc1)C#N)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 Show InChI InChI=1S/C22H24N6O3/c1-14(27-12-18(13-27)31-17-4-2-15(10-23)3-5-17)20-25-21-19(22(29)26-20)11-24-28(21)16-6-8-30-9-7-16/h2-5,11,14,16,18H,6-9,12-13H2,1H3,(H,25,26,29)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of human DAT				J Med Chem 55: 9055-68 (2012) Article DOI: 10.1021/jm3009635 BindingDB Entry DOI: 10.7270/Q2CR5VHK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50397973 (CHEMBL2180441) Show SMILES Cc1nc2ccc(cc2nc1\C=C\c1nc(N[C@@H]2CCS(=O)(=O)C2)cc(n1)N1CCCC1)C(F)(F)F Show InChI InChI=1S/C24H25F3N6O2S/c1-15-18(30-20-12-16(24(25,26)27)4-5-19(20)28-15)6-7-21-31-22(29-17-8-11-36(34,35)14-17)13-23(32-21)33-9-2-3-10-33/h4-7,12-13,17H,2-3,8-11,14H2,1H3,(H,29,31,32)/b7-6+/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00330	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
Beta-secretase (BACE) (Homo sapiens (Human))	BDBM160666 (US9045498, 8) Show SMILES NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1cc(CNCC(F)(F)F)c(F)cc1F Show InChI InChI=1S/C17H19F6N3OS/c18-4-11-2-10-6-28-15(24)26-16(10,8-27-11)12-1-9(13(19)3-14(12)20)5-25-7-17(21,22)23/h1,3,10-11,25H,2,4-8H2,(H2,24,26)/t10-,11+,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 60: 386-402 (2017) BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase (BACE) (Homo sapiens (Human))	BDBM50259962 (CHEMBL4088234) Show SMILES C[C@@H]1C[C@](C)(N=C(N)S1)c1cc(CNC2(CC2)C(F)(F)F)c(F)cc1F Show InChI InChI=1S/C17H20F5N3S/c1-9-7-15(2,25-14(23)26-9)11-5-10(12(18)6-13(11)19)8-24-16(3-4-16)17(20,21)22/h5-6,9,24H,3-4,7-8H2,1-2H3,(H2,23,25)/t9-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	0.0240	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM142586 (US8933224, 4) Show SMILES COc1ccc2CCN(Cc2c1OCCF)c1ncnn2c(C)nc([C@@H]3CCOC3)c12 Show InChI InChI=1S/C22H26FN5O3/c1-14-26-19(16-6-9-30-12-16)20-22(24-13-25-28(14)20)27-8-5-15-3-4-18(29-2)21(17(15)11-27)31-10-7-23/h3-4,13,16H,5-12H2,1-2H3/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0386	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Inc US Patent					Assay Description The ability of a compound to inhibit PDE10 enzymatic activity can be demonstrated by any number of assays that are known in the art. The products of ...				US Patent US8933224 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C35
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM142493 (US8933224, 86) Show SMILES CC(C)c1nn(C)c2CCN(Cc12)c1ncnn2c(C)nc([C@@H]3CCOC3)c12 Show InChI InChI=1S/C20H27N7O/c1-12(2)17-15-9-26(7-5-16(15)25(4)24-17)20-19-18(14-6-8-28-10-14)23-13(3)27(19)22-11-21-20/h11-12,14H,5-10H2,1-4H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0444	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Inc US Patent					Assay Description The ability of a compound to inhibit PDE10 enzymatic activity can be demonstrated by any number of assays that are known in the art. The products of ...				US Patent US8933224 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C35
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50397987 (CHEMBL2180452) Show SMILES CC(=O)N1CCCC(C1)c1cccnc1Oc1ccc(cc1)C(=O)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C26H24N4O3/c1-17(31)30-15-5-6-19(16-30)21-7-4-14-27-26(21)33-20-12-10-18(11-13-20)24(32)25-28-22-8-2-3-9-23(22)29-25/h2-4,7-14,19H,5-6,15-16H2,1H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM142557 (US8933224, 150) Show SMILES CCn1c(nc2CCN(Cc2c1=O)c1ncnn2c(C)nc([C@@H]3CCOC3)c12)C1CC1 Show InChI InChI=1S/C22H27N7O2/c1-3-28-20(14-4-5-14)26-17-6-8-27(10-16(17)22(28)30)21-19-18(15-7-9-31-11-15)25-13(2)29(19)24-12-23-21/h12,14-15H,3-11H2,1-2H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0697	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Inc US Patent					Assay Description The ability of a compound to inhibit PDE10 enzymatic activity can be demonstrated by any number of assays that are known in the art. The products of ...				US Patent US8933224 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C35
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM142544 (US8933224, 137) Show SMILES CCc1nc(nc2CCN(Cc12)c1ncnn2c(C)nc([C@@H]3CCOC3)c12)C1CC1 Show InChI InChI=1S/C22H27N7O/c1-3-17-16-10-28(8-6-18(16)27-21(26-17)14-4-5-14)22-20-19(15-7-9-30-11-15)25-13(2)29(20)24-12-23-22/h12,14-15H,3-11H2,1-2H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0777	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Inc US Patent					Assay Description The ability of a compound to inhibit PDE10 enzymatic activity can be demonstrated by any number of assays that are known in the art. The products of ...				US Patent US8933224 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C35
					More data for this Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM142550 (US8933224, 143 | US8933224, 144) Show SMILES Cc1nc([C@@H]2CCOC2)c2c(ncnn12)N1CCc2nc(C3CC3)n(C)c(=O)c2C1 Show InChI InChI=1S/C21H25N7O2/c1-12-24-17(14-6-8-30-10-14)18-20(22-11-23-28(12)18)27-7-5-16-15(9-27)21(29)26(2)19(25-16)13-3-4-13/h11,13-14H,3-10H2,1-2H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0837	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Inc US Patent					Assay Description The ability of a compound to inhibit PDE10 enzymatic activity can be demonstrated by any number of assays that are known in the art. The products of ...				US Patent US8933224 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C35
					More data for this Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM142481 (US8933224, 74) Show SMILES Cc1nc([C@@H]2CCOC2)c2c(ncnn12)N1CCc2ccc(nc2C1)C1CC1 Show InChI InChI=1S/C21H24N6O/c1-13-24-19(16-7-9-28-11-16)20-21(22-12-23-27(13)20)26-8-6-15-4-5-17(14-2-3-14)25-18(15)10-26/h4-5,12,14,16H,2-3,6-11H2,1H3/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0896	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Inc US Patent					Assay Description The ability of a compound to inhibit PDE10 enzymatic activity can be demonstrated by any number of assays that are known in the art. The products of ...				US Patent US8933224 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C35
					More data for this Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM142544 (US8933224, 137) Show SMILES CCc1nc(nc2CCN(Cc12)c1ncnn2c(C)nc([C@@H]3CCOC3)c12)C1CC1 Show InChI InChI=1S/C22H27N7O/c1-3-17-16-10-28(8-6-18(16)27-21(26-17)14-4-5-14)22-20-19(15-7-9-30-11-15)25-13(2)29(20)24-12-23-22/h12,14-15H,3-11H2,1-2H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0950	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Inc US Patent					Assay Description The ability of a compound to inhibit PDE10 enzymatic activity can be demonstrated by any number of assays that are known in the art. The products of ...				US Patent US8933224 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C35
					More data for this Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM142536 (US8933224, 129) Show SMILES CCn1c(C)nc2CCN(Cc2c1=O)c1ncnn2c(C)nc([C@@H]3CCOC3)c12 Show InChI InChI=1S/C20H25N7O2/c1-4-26-12(2)23-16-5-7-25(9-15(16)20(26)28)19-18-17(14-6-8-29-10-14)24-13(3)27(18)22-11-21-19/h11,14H,4-10H2,1-3H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0998	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Inc US Patent					Assay Description The ability of a compound to inhibit PDE10 enzymatic activity can be demonstrated by any number of assays that are known in the art. The products of ...				US Patent US8933224 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C35
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50004081 (CHEMBL2180797) Show SMILES Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2cc(nc2c1)-c1ccccc1 Show InChI InChI=1S/C22H20N6O2/c1-26-20(17(13-23-26)22(30)27-9-5-10-27)21(29)24-16-8-11-28-14-18(25-19(28)12-16)15-6-3-2-4-7-15/h2-4,6-8,11-14H,5,9-10H2,1H3,(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDEDA2 using [3H]cGMP as substrate after 30 mins by scintillation proximity assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50397999 (CHEMBL2180796) Show SMILES Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1ccn2cc(nc2c1)-c1ccccc1 Show InChI InChI=1S/C23H22N6O3/c1-27-21(18(14-24-27)23(31)28-9-11-32-12-10-28)22(30)25-17-7-8-29-15-19(26-20(29)13-17)16-5-3-2-4-6-16/h2-8,13-15H,9-12H2,1H3,(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDEDA2 using [3H]cGMP as substrate after 30 mins by scintillation proximity assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM142459 (US8933224, 52) Show SMILES Cc1nc([C@@H]2CCOC2)c2c(ncnn12)N1CCc2nc(nc(O)c2C1)C1CC1 Show InChI InChI=1S/C20H23N7O2/c1-11-23-16(13-5-7-29-9-13)17-19(21-10-22-27(11)17)26-6-4-15-14(8-26)20(28)25-18(24-15)12-2-3-12/h10,12-13H,2-9H2,1H3,(H,24,25,28)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.101	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Inc US Patent					Assay Description The ability of a compound to inhibit PDE10 enzymatic activity can be demonstrated by any number of assays that are known in the art. The products of ...				US Patent US8933224 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C35
					More data for this Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM142451 (US8933224, 44) Show SMILES Cc1nc([C@@H]2CCOC2)c2c(ncnn12)N1CCc2nn(C)c(C3CC3)c2C1 Show InChI InChI=1S/C20H25N7O/c1-12-23-17(14-6-8-28-10-14)19-20(21-11-22-27(12)19)26-7-5-16-15(9-26)18(13-3-4-13)25(2)24-16/h11,13-14H,3-10H2,1-2H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.102	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Inc US Patent					Assay Description The ability of a compound to inhibit PDE10 enzymatic activity can be demonstrated by any number of assays that are known in the art. The products of ...				US Patent US8933224 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C35
					More data for this Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM142550 (US8933224, 143 | US8933224, 144) Show SMILES Cc1nc([C@@H]2CCOC2)c2c(ncnn12)N1CCc2nc(C3CC3)n(C)c(=O)c2C1 Show InChI InChI=1S/C21H25N7O2/c1-12-24-17(14-6-8-30-10-14)18-20(22-11-23-28(12)18)27-7-5-16-15(9-27)21(29)26(2)19(25-16)13-3-4-13/h11,13-14H,3-10H2,1-2H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.106	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Inc US Patent					Assay Description The ability of a compound to inhibit PDE10 enzymatic activity can be demonstrated by any number of assays that are known in the art. The products of ...				US Patent US8933224 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C35
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM142451 (US8933224, 44) Show SMILES Cc1nc([C@@H]2CCOC2)c2c(ncnn12)N1CCc2nn(C)c(C3CC3)c2C1 Show InChI InChI=1S/C20H25N7O/c1-12-23-17(14-6-8-28-10-14)19-20(21-11-22-27(12)19)26-7-5-16-15(9-26)18(13-3-4-13)25(2)24-16/h11,13-14H,3-10H2,1-2H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Inc US Patent					Assay Description The ability of a compound to inhibit PDE10 enzymatic activity can be demonstrated by any number of assays that are known in the art. The products of ...				US Patent US8933224 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C35
					More data for this Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM142442 (US8933224, 35) Show SMILES CCOc1nc(C)nc2CCN(Cc12)c1ncnn2c(C)nc([C@@H]3CCOC3)c12 Show InChI InChI=1S/C20H25N7O2/c1-4-29-20-15-9-26(7-5-16(15)23-12(2)24-20)19-18-17(14-6-8-28-10-14)25-13(3)27(18)22-11-21-19/h11,14H,4-10H2,1-3H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.123	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Inc US Patent					Assay Description The ability of a compound to inhibit PDE10 enzymatic activity can be demonstrated by any number of assays that are known in the art. The products of ...				US Patent US8933224 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C35
					More data for this Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM142555 (US8933224, 148) Show SMILES CCOc1nc(nc2CCN(Cc12)c1ncnn2c(C)nc([C@@H]3CCOC3)c12)C1CC1 Show InChI InChI=1S/C22H27N7O2/c1-3-31-22-16-10-28(8-6-17(16)26-20(27-22)14-4-5-14)21-19-18(15-7-9-30-11-15)25-13(2)29(19)24-12-23-21/h12,14-15H,3-11H2,1-2H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.125	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Inc US Patent					Assay Description The ability of a compound to inhibit PDE10 enzymatic activity can be demonstrated by any number of assays that are known in the art. The products of ...				US Patent US8933224 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C35
					More data for this Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM142559 (US8933224, 152) Show SMILES CNc1ccc2CN(CCc2n1)c1ncnn2c(C)nc([C@@H]3CCOC3)c12 Show InChI InChI=1S/C19H23N7O/c1-12-23-17(14-6-8-27-10-14)18-19(21-11-22-26(12)18)25-7-5-15-13(9-25)3-4-16(20-2)24-15/h3-4,11,14H,5-10H2,1-2H3,(H,20,24)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.130	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Inc US Patent					Assay Description The ability of a compound to inhibit PDE10 enzymatic activity can be demonstrated by any number of assays that are known in the art. The products of ...				US Patent US8933224 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C35
					More data for this Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM142493 (US8933224, 86) Show SMILES CC(C)c1nn(C)c2CCN(Cc12)c1ncnn2c(C)nc([C@@H]3CCOC3)c12 Show InChI InChI=1S/C20H27N7O/c1-12(2)17-15-9-26(7-5-16(15)25(4)24-17)20-19-18(14-6-8-28-10-14)23-13(3)27(19)22-11-21-20/h11-12,14H,5-10H2,1-4H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.132	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Inc US Patent					Assay Description The ability of a compound to inhibit PDE10 enzymatic activity can be demonstrated by any number of assays that are known in the art. The products of ...				US Patent US8933224 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C35
					More data for this Ligand-Target Pair

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