Reaction Details Report a problem with these data
Target
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A [388-1112]
Ligand
BDBM15335
Substrate
BDBM10851
Meas. Tech.
PDE SPA Enzyme Inhibition Assay
IC50
7.6±n/a nM
Citation
Edmondson, SD; Mastracchio, A; He, J; Chung, CC; Forrest, MJ; Hofsess, S; MacIntyre, E; Metzger, J; O'Connor, N; Patel, K; Tong, X; Tota, MR; Van der Ploeg, LH; Varnerin, JP; Fisher, MH; Wyvratt, MJ; Weber, AE; Parmee, ER Benzyl vinylogous amide substituted aryldihydropyridazinones and aryldimethylpyrazolones as potent and selective PDE3B inhibitors. Bioorg Med Chem Lett 13:3983-7 (2003) [PubMed] Article
More Info.:
Target
Name:
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A [388-1112]
Synonyms:
CGI-PDE A | Cyclic GMP-inhibited phosphodiesterase A | PDE3A | PDE3A_HUMAN | Phosphodiesterase Type 3 (PDE3A) | cGMP-inhibited 3',5'-cyclic phosphodiesterase A [388-1112] | cGMP-inhibited 3,5-cyclic phosphodiesterase A
Type:
Enzyme
Mol. Mass.:
80817.39
Organism:
Human
Description:
PDE3A (388-1112) was expressed as soluble proteins in Escherichia coli.
Residue:
725
Sequence:
QAIHKPRVNPVTSLSENYTCSDSEESSEKDKLAIPKRLRRSLPPGLLRRVSSTWTTTTSATGLPTLEPAPVRRDRSTSIKLQEAPSSSPDSWNNPVMMTLTKSRSFTSSYAISAANHVKAKKQSRPGALAKISPLSSPCSSPLQGTPASSLVSKISAVQFPESADTTAKQSLGSHRALTYTQSAPDLSPQILTPPVICSSCGRPYSQGNPADEPLERSGVATRTPSRTDDTAQVTSDYETNNNSDSSDIVQNEDETECLREPLRKASACSTYAPETMMFLDKPILAPEPLVMDNLDSIMEQLNTWNFPIFDLVENIGRKCGRILSQVSYRLFEDMGLFEAFKIPIREFMNYFHALEIGYRDIPYHNRIHATDVLHAVWYLTTQPIPGLSTVINDHGSTSDSDSDSGFTHGHMGYVFSKTYNVTDDKYGCLSGNIPALELMALYVAAAMHDYDHPGRTNAFLVATSAPQAVLYNDRSVLENHHAAAAWNLFMSRPEYNFLINLDHVEFKHFRFLVIEAILATDLKKHFDFVAKFNGKVNDDVGIDWTNENDRLLVCQMCIKLADINGPAKCKELHLQWTDGIVNEFYEQGDEEASLGLPISPFMDRSAPQLANLQESFISHIVGPLCNSYDSAGLMPGKWVEDSDESGDTDDPEEEEEEAPAPNEEETCENNESPKKKTFKRRKIYCQITQHLLQNHKMWKKVIEEEQRLAGIENQSLDQTPQSHS
Inhibitor
Name:
BDBM15335
Synonyms:
3-[(2-{[4-(4,4-dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)-2,3-difluorophenyl]amino}-6-oxocyclohex-1-en-1-yl)methyl]benzonitrile | Aryldimethylpyrazolone 18n
Type:
Small organic molecule
Emp. Form.:
C25H22F2N4O2
Mol. Mass.:
448.4646
SMILES:
CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3cccc(c3)C#N)C(=O)CCC2)c(F)c1F |c:6,14|
Substrate
Name:
BDBM10851
Synonyms:
(4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihydroxy-hexahydro-1,3,5,2-furo[3,2-d][1,3,2]dioxaphosphinin-2-one | (4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide | ADENOSINE-3 ,5 -CYCLIC-MONOPHOSPHATE | Cyclic adenosine monophosphate | cAMP | cid_23902375
Type:
Small organic molecule
Emp. Form.:
C10H12N5O6P
Mol. Mass.:
329.2059
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O