Reaction Details Report a problem with these data
Target
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C
Ligand
BDBM50300112
Substrate
n/a
Meas. Tech.
ChEMBL_593498 (CHEMBL1047622)
IC50
73±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:
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C
Synonyms:
3',5'-cyclic-AMP phosphodiesterase | 3',5'-cyclic-GMP phosphodiesterase | Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C | Cam-PDE 1C | Hcam3 | PDE1C | PDE1C_HUMAN | Phosphodiesterase 1 | Phosphodiesterase 1C | Phosphodiesterase, PDE1/PDE5
Type:
Enzyme
Mol. Mass.:
80778.58
Organism:
Homo sapiens (Human)
Description:
Q14123
Residue:
709
Sequence:
MESPTKEIEEFESNSLKYLQPEQIEKIWLRLRGLRKYKKTSQRLRSLVKQLERGEASVVDLKKNLEYAATVLESVYIDETRRLLDTEDELSDIQSDAVPSEVRDWLASTFTRQMGMMLRRSDEKPRFKSIVHAVQAGIFVERMYRRTSNMVGLSYPPAVIEALKDVDKWSFDVFSLNEASGDHALKFIFYELLTRYDLISRFKIPISALVSFVEALEVGYSKHKNPYHNLMHAADVTQTVHYLLYKTGVANWLTELEIFAIIFSAAIHDYEHTGTTNNFHIQTRSDPAILYNDRSVLENHHLSAAYRLLQDDEEMNILINLSKDDWREFRTLVIEMVMATDMSCHFQQIKAMKTALQQPEAIEKPKALSLMLHTADISHPAKAWDLHHRWTMSLLEEFFRQGDREAELGLPFSPLCDRKSTMVAQSQVGFIDFIVEPTFTVLTDMTEKIVSPLIDETSQTGGTGQRRSSLNSISSSDAKRSGVKTSGSEGSAPINNSVISVDYKSFKATWTEVVHINRERWRAKVPKEEKAKKEAEEKARLAAEEQQKEMEAKSQAEEGASGKAEKKTSGETKNQVNGTRANKSDNPRGKNSKAEKSSGEQQQNGDFKDGKNKTDKKDHSNIGNDSKKTDGTKQRSHGSPAPSTSSTCRLTLPVIKPPLRHFKRPAYASSSYAPSVSKKTDEHPARYKMLDQRIKMKKIQNISHNWNRK
  
Inhibitor
Name:
BDBM50300112
Synonyms:
CHEMBL565667 | trans-1-cyclopentyl-6-(4-methyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
Type:
Small organic molecule
Emp. Form.:
C24H27N7O
Mol. Mass.:
429.5175
SMILES:
C[C@H]1CN(Cc2ccc3nccnc3c2)C[C@@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
Structure:
Search PDB for entries with ligand similarity: