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 = 'BDBM50390826'   

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))	BDBM50390826 (CHEMBL2070663) Show SMILES COc1cc(F)cc2c1nnc1c(C)nc(-c3c(C)nn(C)c3C)n21 |(5.87,4.24,;4.53,3.46,;4.54,1.92,;3.21,1.15,;3.21,-.39,;1.87,-1.16,;4.54,-1.16,;5.87,-.4,;5.87,1.16,;7.21,1.94,;8.56,1.15,;8.56,-.4,;9.7,-1.44,;11.21,-1.13,;9.06,-2.85,;7.53,-2.68,;6.61,-3.91,;5.07,-3.89,;4.18,-2.64,;4.58,-5.35,;5.81,-6.27,;5.8,-7.81,;7.07,-5.38,;8.53,-5.87,;7.22,-1.17,)| Show InChI InChI=1S/C17H17FN6O/c1-8-14(10(3)23(4)22-8)17-19-9(2)16-21-20-15-12(24(16)17)6-11(18)7-13(15)25-5/h6-7H,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13.1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A-catalyzed cAMP hydrolysis				Bioorg Med Chem Lett 22: 5876-84 (2012) Article DOI: 10.1016/j.bmcl.2012.07.076 BindingDB Entry DOI: 10.7270/Q2FB5413
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