Reaction Details Report a problem with these data
Target
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Ligand
BDBM50034641
Substrate
n/a
Meas. Tech.
ChEMBL_1990934 (CHEMBL4624669)
IC50
0.600000±n/a nM
Citation
 Zhang, P; Jiang, MY; Le, ML; Zhang, B; Zhou, Q; Wu, Y; Zhang, C; Luo, HB Design, synthesis and evaluation of pyrazolopyrimidinone derivatives as novel PDE9A inhibitors for treatment of Alzheimer's disease. Bioorg Med Chem Lett 30:0 (2020) [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:
BDBM50034641
Synonyms:
CHEMBL3360415
Type:
Small organic molecule
Emp. Form.:
C20H24N6O3
Mol. Mass.:
396.443
SMILES:
COc1ccc(NC(=O)[C@@H](C)Nc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: