Reaction Details Report a problem with these data
Target
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B
Ligand
BDBM14777
Substrate
n/a
Meas. Tech.
ChEMBL_156011 (CHEMBL765422)
IC50
>10000±n/a nM
Citation
 Daugan, A; Grondin, P; Ruault, C; Le Monnier de Gouville, AC; Coste, H; Linget, JM; Kirilovsky, J; Hyafil, F; Labaudinière, R The discovery of tadalafil: a novel and highly selective PDE5 inhibitor. 2: 2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione analogues. J Med Chem 46:4533-42 (2003) [PubMed]  Article 
Target
Name:
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B
Synonyms:
Phosphodiesterase 1
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 156011
Components:
This complex has 2 components.
Component 1
Name:
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
Synonyms:
63 kDa Cam-PDE | Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B | Cam-PDE 1B | PDE1B | PDE1B1 | PDE1B_BOVIN
Type:
PROTEIN
Mol. Mass.:
60991.90
Organism:
Bos taurus
Description:
ChEMBL_104913
Residue:
534
Sequence:
MELSPRSPPEMLESDCPSPLELKSAPSKKMWIKLRSLLRYMVKQLENGEVNIEELKKNLEYTASLLEAVYIDETRQILDTEDELQELRSDAVPSEVRDWLASTFTQQTRAKGPSEEKPKFRSIVHAVQAGIFVERMFRRTYTSVGPTYSTAVLNCLKNVDLWCFDVFSLNRAADDHALRTIVFELLTRHNLISRFKIPTVFLMTFLDALETGYGKYKNPYHNQIHAADVTQTVHCFLLRTGMVHCLSEIEVLAIIFAAAIHDYEHTGTTNSFHIQTKSECAILYNDRSVLENHHISSVFRMMQDDEMNIFINLTKDEFVELRALVIEMVLATDMSCHFQQVKSMKTALQQLERIDKSKALSLLLHAADISHPTKQWSVHSRWTKALMEEFFRQGDKEAELGLPFSPLCDRTSTLVAQSQIGFIDFIVEPTFSVLTDVAEKSVQPTGDDDSKSKNQPSFQWRQPSLDVEVGDPNPDVVSFRSTWTKYIQENKQKWKERAASGITNQMSIDELSPCEEEAPASPAEDEHNQNGNLD
  
Component 2
Name:
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A
Synonyms:
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A | Heart phosphodiesterase | PDE1A | PDE1A_BOVIN | Phosphodiesterase 1 | Phosphodiesterase 1A
Type:
Enzyme Catalytic Domain
Mol. Mass.:
60835.05
Organism:
BOVINE
Description:
Phosphodiesterase 1 0 BOVINE::P14100
Residue:
530
Sequence:
MGSTATETEELENTTFKYLIGEQTEKMWQRLKGILRCLVKQLEKGDVNVIDLKKNIEYAASVLEAVYIDETRRLLDTDDELSDIQSDSVPSEVRDWLASTFTRKMGMMKKKSEEKPRFRSIVHVVQAGIFVERMYRKSYHMVGLAYPEAVIVTLKDVDKWSFDVFALNEASGEHSLKFMIYELFTRYDLINRFKIPVSCLIAFAEALEVGYSKYKNPYHNLIHAADVTQTVHYIMLHTGIMHWLTELEILAMVFAAAIHDYEHTGTTNNFHIQTRSDVAILYNDRSVLENHHVSAAYRLMQEEEMNVLINLSKDDWRDLRNLVIEMVLSTDMSGHFQQIKNIRNSLQQPEGLDKAKTMSLILHAADISHPAKSWKLHHRWTMALMEEFFLQGDKEAELGLPFSPLCDRKSTMVAQSQIGFIDFIVEPTFSLLTDSTEKIIIPLIEEDSKTKTPSYGASRRSNMKGTTNDGTYSPDYSLASVDLKSFKNSLVDIIQQNKERWKELAAQGEPDPHKNSDLVNAEEKHAETHS
  
Inhibitor
Name:
BDBM14777
Synonyms:
(2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11(16),12,14-tetraene-4,7-dione | (6R,12aR)-6-(1,3-benzodioxol-5-yl)-2-methyl-2,3,6,7,12,12a-hexahydropyrazino[1,2,1,6]pyrido[3,4-b]indole-1,4-dione | CHEMBL779 | Cialis | GF 196960 | Tadalafil
Type:
Small organic molecule
Emp. Form.:
C22H19N3O4
Mol. Mass.:
389.404
SMILES:
[H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r|
Structure:
Search PDB for entries with ligand similarity: