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 = 'BDBM239799'   

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))	BDBM239799 (Roche-Dataset for PDE10A, Compound 135 | US9394311...) Show SMILES Cc1c(Br)cc(c2nc(CCc3nc(nn3C)N3CCCC3)nn12)C(F)(F)F Show InChI InChI=1S/C17H19BrF3N7/c1-10-12(18)9-11(17(19,20)21)15-22-13(24-28(10)15)5-6-14-23-16(25-26(14)2)27-7-3-4-8-27/h9H,3-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.430	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))	BDBM239799 (Roche-Dataset for PDE10A, Compound 135 | US9394311...) Show SMILES Cc1c(Br)cc(c2nc(CCc3nc(nn3C)N3CCCC3)nn12)C(F)(F)F Show InChI InChI=1S/C17H19BrF3N7/c1-10-12(18)9-11(17(19,20)21)15-22-13(24-28(10)15)5-6-14-23-16(25-26(14)2)27-7-3-4-8-27/h9H,3-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM M...				US Patent US9394311 (2016) BindingDB Entry DOI: 10.7270/Q27D2T2H
					More data for this Ligand-Target Pair