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Target
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Ligand
BDBM50300100
Substrate
n/a
Meas. Tech.
ChEMBL_593497 (CHEMBL1047621)
IC50
150±n/a nM
Citation
 Verhoest, PR; Proulx-Lafrance, C; Corman, M; Chenard, L; Helal, CJ; Hou, X; Kleiman, R; Liu, S; Marr, E; Menniti, FS; Schmidt, CJ; Vanase-Frawley, M; Schmidt, AW; Williams, RD; Nelson, FR; Fonseca, KR; Liras, S Identification of a brain penetrant PDE9A inhibitor utilizing prospective design and chemical enablement as a rapid lead optimization strategy. J Med Chem 52:7946-9 (2009) [PubMed]  Article 
Target
Name:
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Synonyms:
3',5'-cyclic phosphodiesterase | PDE9A | PDE9A_HUMAN | Phosphodiesterase 9A | Phosphodiesterase 9A (PDE9) | Phosphodiesterase 9A (PDE9A)
Type:
Protein
Mol. Mass.:
68488.40
Organism:
Homo sapiens (Human)
Description:
O76083
Residue:
593
Sequence:
MGSGSSSYRPKAIYLDIDGRIQKVIFSKYCNSSDIMDLFCIATGLPRNTTISLLTTDDAMVSIDPTMPANSERTPYKVRPVAIKQLSAGVEDKRTTSRGQSAERPLRDRRVVGLEQPRREGAFESGQVEPRPREPQGCYQEGQRIPPEREELIQSVLAQVAEQFSRAFKINELKAEVANHLAVLEKRVELEGLKVVEIEKCKSDIKKMREELAARSSRTNCPCKYSFLDNHKKLTPRRDVPTYPKYLLSPETIEALRKPTFDVWLWEPNEMLSCLEHMYHDLGLVRDFSINPVTLRRWLFCVHDNYRNNPFHNFRHCFCVAQMMYSMVWLCSLQEKFSQTDILILMTAAICHDLDHPGYNNTYQINARTELAVRYNDISPLENHHCAVAFQILAEPECNIFSNIPPDGFKQIRQGMITLILATDMARHAEIMDSFKEKMENFDYSNEEHMTLLKMILIKCCDISNEVRPMEVAEPWVDCLLEEYFMQSDREKSEGLPVAPFMDRDKVTKATAQIGFIKFVLIPMFETVTKLFPMVEEIMLQPLWESRDRYEELKRIDDAMKELQKKTDSLTSGATEKSRERSRDVKNSEGDCA
  
Inhibitor
Name:
BDBM50300100
Synonyms:
CHEMBL576952 | trans-6-(1-benzyl-4-methylpyrrolidin-3-yl)-1-isobutyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
Type:
Small organic molecule
Emp. Form.:
C21H27N5O
Mol. Mass.:
365.472
SMILES:
CC(C)Cn1ncc2c1nc([nH]c2=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C |r|
Structure:
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