Reaction Details Report a problem with these data
Target
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
Ligand
BDBM50427452
Substrate
n/a
Meas. Tech.
ChEMBL_1553547 (CHEMBL3769079)
IC50
3981±n/a nM
Citation
 Veerman, J; van den Bergh, T; Orrling, KM; Jansen, C; Cos, P; Maes, L; Chatelain, E; Ioset, JR; Edink, EE; Tenor, H; Seebeck, T; de Esch, I; Leurs, R; Sterk, GJ Synthesis and evaluation of analogs of the phenylpyridazinone NPD-001 as potent trypanosomal TbrPDEB1 phosphodiesterase inhibitors and in vitro trypanocidals. Bioorg Med Chem 24:1573-81 (2016) [PubMed]  Article 
Target
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 | Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B | Cam-PDE 1B | PDE1B | PDE1B1 | PDE1B_HUMAN | PDES1B | Phosphodiesterase 1B | Phosphodiesterase 1B (PDE1B1) | Phosphodiesterase Type 1 (PDE1B) | Phosphodiesterase, PDE1/PDE5
Type:
Enzyme
Mol. Mass.:
61366.51
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
536
Sequence:
MELSPRSPPEMLEESDCPSPLELKSAPSKKMWIKLRSLLRYMVKQLENGEINIEELKKNLEYTASLLEAVYIDETRQILDTEDELQELRSDAVPSEVRDWLASTFTQQARAKGRRAEEKPKFRSIVHAVQAGIFVERMFRRTYTSVGPTYSTAVLNCLKNLDLWCFDVFSLNQAADDHALRTIVFELLTRHNLISRFKIPTVFLMSFLDALETGYGKYKNPYHNQIHAADVTQTVHCFLLRTGMVHCLSEIELLAIIFAAAIHDYEHTGTTNSFHIQTKSECAIVYNDRSVLENHHISSVFRLMQDDEMNIFINLTKDEFVELRALVIEMVLATDMSCHFQQVKTMKTALQQLERIDKPKALSLLLHAADISHPTKQWLVHSRWTKALMEEFFRQGDKEAELGLPFSPLCDRTSTLVAQSQIGFIDFIVEPTFSVLTDVAEKSVQPLADEDSKSKNQPSFQWRQPSLDVEVGDPNPDVVSFRSTWVKRIQENKQKWKERAASGITNQMSIDELSPCEEEAPPSPAEDEHNQNGNLD
  
Inhibitor
Name:
BDBM50427452
Synonyms:
CHEMBL2326941
Type:
Small organic molecule
Emp. Form.:
C33H40N6O4
Mol. Mass.:
584.7085
SMILES:
COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:43,t:28|
Structure:
Search PDB for entries with ligand similarity: