null

SMILES: O=C(Nc1cc(nn1CC1CCCC1)-c1ccccn1)c1nc(ccc1Nc1cncnc1)C1CC1

InChI Key: InChIKey=MDWSBUQHPBTRPA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 97520   

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))	BDBM97520 (Roche-Dataset for PDE10A, Compound 8 | US8470820, ...) Show SMILES O=C(Nc1cc(nn1CC1CCCC1)-c1ccccn1)c1nc(ccc1Nc1cncnc1)C1CC1 Show InChI InChI=1S/C27H28N8O/c36-27(26-23(31-20-14-28-17-29-15-20)11-10-21(32-26)19-8-9-19)33-25-13-24(22-7-3-4-12-30-22)34-35(25)16-18-5-1-2-6-18/h3-4,7,10-15,17-19,31H,1-2,5-6,8-9,16H2,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Human PDE10A IC50 values were determined by using purified enzyme (Biomol cat. # SE-534) in a scintillation proximity assay (SPA) in 96 well plates (...				Citation and Details Article DOI: 10.1007/s10822-022-00478-x BindingDB Entry DOI: 10.7270/Q29W0JQD
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM97520 (Roche-Dataset for PDE10A, Compound 8 | US8470820, ...) Show SMILES O=C(Nc1cc(nn1CC1CCCC1)-c1ccccn1)c1nc(ccc1Nc1cncnc1)C1CC1 Show InChI InChI=1S/C27H28N8O/c36-27(26-23(31-20-14-28-17-29-15-20)11-10-21(32-26)19-8-9-19)33-25-13-24(22-7-3-4-12-30-22)34-35(25)16-18-5-1-2-6-18/h3-4,7,10-15,17-19,31H,1-2,5-6,8-9,16H2,(H,33,36)	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	1	n/a	n/a	n/a	n/a	7.5	n/a
Hoffman-La Roche Inc. US Patent					Assay Description Scintillation proximity assay using human PDE10A.				US Patent US8470820 (2013) BindingDB Entry DOI: 10.7270/Q2J96501
					More data for this Ligand-Target Pair