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 = 'BDBM98540'   

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))	BDBM98540 (US8492392, 1-11) Show SMILES CC(C)Oc1nc(nc2CCN(Cc12)C(=O)Nc1ccc(C)nc1)-c1ccc(Cl)nc1 Show InChI InChI=1S/C22H23ClN6O2/c1-13(2)31-21-17-12-29(22(30)26-16-6-4-14(3)24-11-16)9-8-18(17)27-20(28-21)15-5-7-19(23)25-10-15/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-52.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Fluorescence polarization assay: The compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hy...				US Patent US8492392 (2013) BindingDB Entry DOI: 10.7270/Q2SN07M8
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