Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A' and Ligand = 'BDBM120643'   

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))	BDBM120643 (US8703768, 244) Show SMILES CC(C)(O)CNC(=O)c1c(NC(=O)c2nc(cnc2Nc2cncnc2)C2CC2)cnn1CC1CCCO1 Show InChI InChI=1S/C25H31N9O4/c1-25(2,37)13-29-24(36)21-19(11-30-34(21)12-17-4-3-7-38-17)33-23(35)20-22(31-16-8-26-14-27-9-16)28-10-18(32-20)15-5-6-15/h8-11,14-15,17,37H,3-7,12-13H2,1-2H3,(H,28,31)(H,29,36)(H,33,35)	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...				US Patent US8703768 (2014) BindingDB Entry DOI: 10.7270/Q27P8X37
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