Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)' and Ligand = 'BDBM235976'   

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
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM235976 (US9365562, 14) Show SMILES CC(C)c1ccn(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C22H25N7/c1-14(2)17-9-10-29(26-17)21-11-20(23-15(3)24-21)28-12-16(13-28)22-25-18-7-5-6-8-19(18)27(22)4/h5-11,14,16H,12-13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.650	-52.4	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
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