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Target
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Ligand
BDBM50591633
Substrate
n/a
Meas. Tech.
ChEMBL_2200950 (CHEMBL5113658)
IC50
107±n/a nM
Citation
 Vaidya, GN; Rana, P; Venkatesh, A; Chatterjee, DR; Contractor, D; Satpute, DP; Nagpure, M; Jain, A; Kumar, D Paradigm shift of "classical" HDAC inhibitors to "hybrid" HDAC inhibitors in therapeutic interventions. Eur J Med Chem 209:0 (2021) [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:
BDBM50591633
Synonyms:
CHEMBL5205968
Type:
Small organic molecule
Emp. Form.:
C23H28N6O3
Mol. Mass.:
436.5068
SMILES:
C[C@H]1CN(Cc2ccc(cc2)C(=O)NO)C[C@@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
Structure:
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