Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A' and Ligand = 'BDBM97517'   

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))	BDBM97517 (Roche-Dataset for PDE10A, Compound 44 | US8470820,...) Show SMILES CC(C)Cn1nc(cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1)-c1ccccn1 Show InChI InChI=1S/C25H26N8O/c1-16(2)14-33-23(11-22(32-33)20-5-3-4-10-28-20)31-25(34)24-21(29-18-12-26-15-27-13-18)9-8-19(30-24)17-6-7-17/h3-5,8-13,15-17,29H,6-7,14H2,1-2H3,(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Hoffman-La Roche Inc. US Patent					Assay Description Scintillation proximity assay using human PDE10A.				US Patent US8470820 (2013) BindingDB Entry DOI: 10.7270/Q2J96501
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM97517 (Roche-Dataset for PDE10A, Compound 44 | US8470820,...) Show SMILES CC(C)Cn1nc(cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1)-c1ccccn1 Show InChI InChI=1S/C25H26N8O/c1-16(2)14-33-23(11-22(32-33)20-5-3-4-10-28-20)31-25(34)24-21(29-18-12-26-15-27-13-18)9-8-19(30-24)17-6-7-17/h3-5,8-13,15-17,29H,6-7,14H2,1-2H3,(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Human PDE10A IC50 values were determined by using purified enzyme (Biomol cat. # SE-534) in a scintillation proximity assay (SPA) in 96 well plates (...				Citation and Details Article DOI: 10.1007/s10822-022-00478-x BindingDB Entry DOI: 10.7270/Q29W0JQD
					More data for this Ligand-Target Pair