Reaction Details Report a problem with these data
Target
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
Ligand
BDBM289671
Substrate
n/a
Meas. Tech.
ChEMBL_1661910 (CHEMBL4011522)
IC50
11±n/a nM
Citation
Dyck, B; Branstetter, B; Gharbaoui, T; Hudson, AR; Breitenbucher, JG; Gomez, L; Botrous, I; Marrone, T; Barido, R; Allerston, CK; Cedervall, EP; Xu, R; Sridhar, V; Barker, R; Aertgeerts, K; Schmelzer, K; Neul, D; Lee, D; Massari, ME; Andersen, CB; Sebring, K; Zhou, X; Petroski, R; Limberis, J; Augustin, M; Chun, LE; Edwards, TE; Peters, M; Tabatabaei, A Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties. J Med Chem 60:3472-3483 (2017) [PubMed] Article
More Info.:
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:
Human
Description:
n/a
Residue:
536
Sequence:
MELSPRSPPEMLEESDCPSPLELKSAPSKKMWIKLRSLLRYMVKQLENGEINIEELKKNLEYTASLLEAVYIDETRQILDTEDELQELRSDAVPSEVRDWLASTFTQQARAKGRRAEEKPKFRSIVHAVQAGIFVERMFRRTYTSVGPTYSTAVLNCLKNLDLWCFDVFSLNQAADDHALRTIVFELLTRHNLISRFKIPTVFLMSFLDALETGYGKYKNPYHNQIHAADVTQTVHCFLLRTGMVHCLSEIELLAIIFAAAIHDYEHTGTTNSFHIQTKSECAIVYNDRSVLENHHISSVFRLMQDDEMNIFINLTKDEFVELRALVIEMVLATDMSCHFQQVKTMKTALQQLERIDKPKALSLLLHAADISHPTKQWLVHSRWTKALMEEFFRQGDKEAELGLPFSPLCDRTSTLVAQSQIGFIDFIVEPTFSVLTDVAEKSVQPLADEDSKSKNQPSFQWRQPSLDVEVGDPNPDVVSFRSTWVKRIQENKQKWKERAASGITNQMSIDELSPCEEEAPPSPAEDEHNQNGNLD
Inhibitor
Name:
BDBM289671
Synonyms:
9-(2,2-Difluorocyclopropanecarbonyl)-6-(4-methoxybenzyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one | US10092575, Example 160 | US10376514, Example 160
Type:
Small organic molecule
Emp. Form.:
C22H19F2N5O3S
Mol. Mass.:
471.48
SMILES:
COc1ccc(Cn2c3sc4CN(CCc4c3c3ncnn3c2=O)C(=O)C2CC2(F)F)cc1