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 = 'BDBM97548'   

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))	BDBM97548 (Roche-Dataset for PDE10A, Compound 472 | US8470820...) Show SMILES COCc1ccc(Nc2cncnc2)c(n1)C(=O)Nc1cc(nn1C)-c1ccccn1 Show InChI InChI=1S/C21H20N8O2/c1-29-19(9-18(28-29)16-5-3-4-8-24-16)27-21(30)20-17(7-6-14(26-20)12-31-2)25-15-10-22-13-23-11-15/h3-11,13,25H,12H2,1-2H3,(H,27,30)	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	6.57	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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM97548 (Roche-Dataset for PDE10A, Compound 472 | US8470820...) Show SMILES COCc1ccc(Nc2cncnc2)c(n1)C(=O)Nc1cc(nn1C)-c1ccccn1 Show InChI InChI=1S/C21H20N8O2/c1-29-19(9-18(28-29)16-5-3-4-8-24-16)27-21(30)20-17(7-6-14(26-20)12-31-2)25-15-10-22-13-23-11-15/h3-11,13,25H,12H2,1-2H3,(H,27,30)	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	7	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