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SMILES: CCc1ncc(Cc2cnc3ccc(cc3c2)N2CCCC2=O)c2cc(OC)c(OC)cc12

InChI Key: InChIKey=AIVLYKBVNLDFIM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 194415   

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))	BDBM194415 (US9200016, 97 | US9902710, Compound 97) Show SMILES CCc1ncc(Cc2cnc3ccc(cc3c2)N2CCCC2=O)c2cc(OC)c(OC)cc12 Show InChI InChI=1S/C27H27N3O3/c1-4-23-22-14-26(33-3)25(32-2)13-21(22)19(16-29-23)11-17-10-18-12-20(7-8-24(18)28-15-17)30-9-5-6-27(30)31/h7-8,10,12-16H,4-6,9,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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))	BDBM194415 (US9200016, 97 | US9902710, Compound 97) Show SMILES CCc1ncc(Cc2cnc3ccc(cc3c2)N2CCCC2=O)c2cc(OC)c(OC)cc12 Show InChI InChI=1S/C27H27N3O3/c1-4-23-22-14-26(33-3)25(32-2)13-21(22)19(16-29-23)11-17-10-18-12-20(7-8-24(18)28-15-17)30-9-5-6-27(30)31/h7-8,10,12-16H,4-6,9,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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