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SMILES: CCCc1ncc(Cc2ccc3cccc(OCc4nnn[nH]4)c3n2)c2cc(OC)c(OC)cc12

InChI Key: InChIKey=KJNUIMPGLAXPDS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 194439   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM194439 (US9200016, 121 | US9902710, Compound 121) Show SMILES CCCc1ncc(Cc2ccc3cccc(OCc4nnn[nH]4)c3n2)c2cc(OC)c(OC)cc12 Show InChI InChI=1S/C26H26N6O3/c1-4-6-21-20-13-24(34-3)23(33-2)12-19(20)17(14-27-21)11-18-10-9-16-7-5-8-22(26(16)28-18)35-15-25-29-31-32-30-25/h5,7-10,12-14H,4,6,11,15H2,1-3H3,(H,29,30,31,32)	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	4.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi					Assay Description The phosphodiesterase assay was developed using the LANCE® cAMP kit (PerkinElmer). The assay buffer contained HBSS with 5 mM HEPES, 0.1% BSA, and 1.5...				J Med Chem 48: 2906-15 (2005) BindingDB Entry DOI: 10.7270/Q2PC34QT
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM194439 (US9200016, 121 | US9902710, Compound 121) Show SMILES CCCc1ncc(Cc2ccc3cccc(OCc4nnn[nH]4)c3n2)c2cc(OC)c(OC)cc12 Show InChI InChI=1S/C26H26N6O3/c1-4-6-21-20-13-24(34-3)23(33-2)12-19(20)17(14-27-21)11-18-10-9-16-7-5-8-22(26(16)28-18)35-15-25-29-31-32-30-25/h5,7-10,12-14H,4,6,11,15H2,1-3H3,(H,29,30,31,32)	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	4.70	n/a	n/a	n/a	n/a	7.4	37
Allergan, Inc.; Exonhit Therapeutics, SA US Patent					Assay Description The phosphodiesterase assay was developed using the LANCE cAMP kit (PerkinElmer). The assay buffer contained HBSS with 5 mM HEPES, 0.1% BSA, and 1....				US Patent US9200016 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81PH
					More data for this Ligand-Target Pair