Reaction Details
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cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Ligand
BDBM50021252
Substrate
n/a
Meas. Tech.
ChEMBL_1366276 (CHEMBL3297609)
IC50
271±n/a nM
Citation
Hu, E; Andrews, K; Chmait, S; Zhao, X; Davis, C; Miller, S; Hill Della Puppa, G; Dovlatyan, M; Chen, H; Lester-Zeiner, D; Able, J; Biorn, C; Ma, J; Shi, J; Treanor, J; Allen, JR Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A). ACS Med Chem Lett 5:700-5 (2014) [PubMed] Article More Info.:
Target
Name:
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Synonyms:
3',5'-cyclic phosphodiesterase | PDE10A | PDE10_HUMAN | Phosphodiesterase 10 (PDE10) | Phosphodiesterase 10A
Type:
Protein
Mol. Mass.:
88412.52
Organism:
Homo sapiens (Human)
Description:
Q9Y233
Residue:
779
Sequence:
MRIEERKSQHLTGLTDEKVKAYLSLHPQVLDEFVSESVSAETVEKWLKRKNNKSEDESAPKEVSRYQDTNMQGVVYELNSYIEQRLDTGGDNQLLLYELSSIIKIATKADGFALYFLGECNNSLCIFTPPGIKEGKPRLIPAGPITQGTTVSAYVAKSRKTLLVEDILGDERFPRGTGLESGTRIQSVLCLPIVTAIGDLIGILELYRHWGKEAFCLSHQEVATANLAWASVAIHQVQVCRGLAKQTELNDFLLDVSKTYFDNIVAIDSLLEHIMIYAKNLVNADRCALFQVDHKNKELYSDLFDIGEEKEGKPVFKKTKEIRFSIEKGIAGQVARTGEVLNIPDAYADPRFNREVDLYTGYTTRNILCMPIVSRGSVIGVVQMVNKISGSAFSKTDENNFKMFAVFCALALHCANMYHRIRHSECIYRVTMEKLSYHSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED
Inhibitor
Name:
BDBM50021252
Synonyms:
CHEMBL3287904
Type:
Small organic molecule
Emp. Form.:
C20H21N5OS
Mol. Mass.:
379.479
SMILES:
COc1nc2cccnc2n1C1CCC(CC1)Nc1nc2ccccc2s1 |(2.39,-40.58,;3.16,-41.91,;2.38,-43.25,;.85,-43.41,;.52,-44.92,;-.81,-45.69,;-.81,-47.23,;.53,-48,;1.87,-47.23,;1.86,-45.69,;3.01,-44.66,;4.51,-44.97,;4.99,-46.44,;6.49,-46.76,;7.52,-45.62,;7.04,-44.15,;5.54,-43.83,;9.03,-45.94,;10.06,-44.79,;9.74,-43.28,;11.08,-42.51,;11.39,-41.01,;12.85,-40.53,;14,-41.56,;13.68,-43.06,;12.22,-43.54,;11.6,-44.95,)|
Structure:
