Reaction Details Report a problem with these data
Target
Phosphodiesterase
Ligand
BDBM320807
Substrate
n/a
Meas. Tech.
Lab B PDE2 assay
Ki
0.075±n/a nM
Citation
Shen, D; Dwyer, MP; Sinz, CJ; Wang, D; Stachel, SJ; Paone, DV; Forster, A; Berger, R; Chen, Y; Qian, Y; Xu, S; Hu, C Dihydropyrazolopyrimidinone compounds as PDE2 inhibitors US Patent US10174037 Publication Date 1/8/2019
More Info.:
Target
Name:
Phosphodiesterase
Synonyms:
PDE2A
Type:
Enzyme Catalytic Domain
Mol. Mass.:
105104.20
Organism:
Macaca mulatta (Rhesus macaque)
Description:
n/a
Residue:
935
Sequence:
MVLVLHHILIAVVQFLRRGQQVFLKPDEPPPPPPQPCADSLQDALLSLGSVIDISGLQRAVKEALSAVLPRVETVYTYLLDGESRLVCEDPPHELPQEGKVWEAIISQKRLGCNGLGLSDLPGKPLARLVAPLAPHTQVLVIPLVDKEAGAVAAVILVHCGQLSDNEEWSLQAVEKHTLVALRRVQALQQRRPSEAPRAVQNPPEGAVEDQKGGAAYTDRDRKILQLCGELYDLDASSLQLKVLQYLQQETRASRCCLLLVSEDSLQLSCKVMGDKVLGEEISFPLTGCLGQVVEDKKSIQLKDLTSEDVQQLQSMLGCELQAMLCVPVISRATDQVVALACAFNKLEGDLFTDQDEHVIQHCFHYTSTVLTSTLAFQKEQKLKCECQALLQVAKNLFTHLDDVSVLLQEIITEARNLSNAEICSVFLLDQNELVAKVFDGGVVDDESYEIRIPADQGIAGHVATTGQILNIPDAYAHPLFYRGVDDSTGFRTRNILCFPIKNENQEVIGVAELVNKINGPWFSKFDEDLATAFSIYCGISIAHSLLYKKVNEAQYRSHLANEMMMYHMKVSDDESTKLLHDGIQPVAAIDSNFASFTYTPRSLPEDDTSMAILSMLQDMNFINNYKIDCPTLARFCLMVKKGYRDPPYHNWMHAFSVSHFCYLLYKNLELTNYLEDIEIFALFISCMCHDLDHRGTNNSFQVASKSVLAALYSSEGSVMERHHFAQAIAILNTHGCNIFDHFSRKDYQRMLDLMRDIILATDLAHHLRIFKDLQKMAEVGYDRNNKQHHRLLLCLLMTSCDLSDQTKGWKTTRKIAELIYKEFFSQGDLEKAMGNRPMEMMDREKAYIPELQISFMEHIAMPIYKLLQDLFPEAAELYERVASNREHWTKVSHKFTIRGLPSNNSLDFLDEEYEVPDLDGTGAPINGCCSLDAE
Inhibitor
Name:
BDBM320807
Synonyms:
(R)- or (S)-1-(Cyclopropyl(4-(1,1- difluoroethyl)phenyl)methyl)-6- (dimethylamino)-3-(fluoromethyl)-1H- pyrazolo[3,4-d]pyrimidin-4(5H)-one | US10174037, Example 212 | US10174037, Example 213
Type:
Small organic molecule
Emp. Form.:
C20H22F3N5O
Mol. Mass.:
405.4168
SMILES:
CN(C)c1nc2n(nc(CF)c2c(=O)[nH]1)C(C1CC1)c1ccc(cc1)C(C)(F)F