BDBM14755 6,7-dimethoxy-4-[8-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]quinazoline::6,7-dimethoxy-4-{8-[(4-methylpiperazine-1-)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}quinazoline::dimethoxyquinazoline deriv. 1
SMILES: COc1cc2ncnc(N3CCc4cccc(c4C3)S(=O)(=O)N3CCN(C)CC3)c2cc1OC
InChI Key: InChIKey=XOFGGFSZAJCEEW-UHFFFAOYSA-N
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 |
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Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat)) | BDBM14755 (6,7-dimethoxy-4-[8-(4-methylpiperazin-1-yl)sulfony...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents | MMDB PDB Article PubMed | 25 | -10.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Pfizer | Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by... | J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |