Reaction Details Report a problem with these data
Target
Phosphodiesterase
Ligand
BDBM50061896
Substrate
n/a
Meas. Tech.
ChEMBL_156453 (CHEMBL764831)
IC50
55000±n/a nM
Citation
 Xia, Y; Chackalamannil, S; Czarniecki, M; Tsai, H; Vaccaro, H; Cleven, R; Cook, J; Fawzi, A; Watkins, R; Zhang, H Synthesis and evaluation of polycyclic pyrazolo[3,4-d]pyrimidines as PDE1 and PDE5 cGMP phosphodiesterase inhibitors. J Med Chem 40:4372-7 (1998) [PubMed]  Article 
Target
Name:
Phosphodiesterase
Synonyms:
Heart phosphodiesterase | Phosphodiesterase 3B
Type:
PROTEIN
Mol. Mass.:
124301.20
Organism:
Bos taurus
Description:
ChEMBL_156453
Residue:
1115
Sequence:
MRRDERDAKAMRSPPPPDGAASPPESVRNGYVKGCVSPLRQDPPRGFFFHLCRFCNVELLLPPPASPQQPRRGSPFSRARLLLGALAAFVLALLLGSGPESWAAGAARLRTLLSVCSQSLSPLFSIACAFFFLTCFLTRTKRGAGPGRSGGGSWWLLALPACCYLGDFLVGQWESWSRGDGDARAPVPHTPPAVAGRWFLVLSCVGLLTLAQPGRLRHSIVVLLFSSFVWWVSFTSLGALPPALRPLLSCLVGGVGCLLALGLDHFFQIREAPQQPQLSSTAEEKVPVIRPRRRSSCVSFGETSGGYYGSCKMFRRPSLPCISREQMILWDWDLKQWYKPHYQISGGGSGVDLSVLNEARNMVSDLLVDPTLPPQVIASLRSISSLMGAFSGSCRPKMNPLTPFPGFYPCSEIEDPAEKGDRKLHKGLNSRNSLPTPHLRRSSGTSGLPPIDQTSPRWERNNGKRPHQEFGILSQGCYLNGPFSSNLLTVPKQRSSSVSLTHHVGLRRAGGLPSMNSPSHGPVSAGSPANRSPIEFPDTAEFLTKPPVILHKSLSSTPNSPDFYQQLRNSDSNLCNSCGHQILKYDSASEPESGTDCHREKSGGEDNTVFSKASFNLTEAQQEVETENRDGRKLLWEGENHLKAAAQNEEQPNIEQEASQDLILIEDYDSLIENMSNWNFQIFELVEKMGEKSGRILSQVVYTLFQDTGLLEIFKIPTLQFMNYFHALENGYRDIPYHNRIHATDVLHAVWYLTTRPIPGLQEIHSDHGAGNETAINPERIAYISSRSCSIPDESYGCLSSNIPALELMALYVAAAMHDYDHPGRTNAFLVATNAPQAVLYNDRSVLENHHAASAWTLYLSRPEYNFLLNLDNVEFKRFRFLVIEAILATDLKKHFDFLAEFNAKANDVNSNGIEWSNENDRLLVCQVCIKLADINGPTKVRDLHLKWTEGIVNEFYEQGDEEANLGLPISPFMDRSSPQLAKLQESFITHIVGPLCNSYDAAGLLPGQWIESEEDDDTESCYEEEDAEELDTEDEEIEDNLNSKPQRRKGRRQIFCQLMHHLTENHKIWKEIIEEEEKCKADGNKLQMENSSLPQGDEIQVIEEADEEEERQLE
  
Inhibitor
Name:
BDBM50061896
Synonyms:
CHEMBL343971 | Rac-(6aR*,9aS*)-5,6a,7,8,9,9a-Hexahydro-5-methyl-1-(phenylmethyl)cyclopent[4,5]imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(1H)-one
Type:
Small organic molecule
Emp. Form.:
C18H19N5O
Mol. Mass.:
321.3764
SMILES:
CN1C2=N[C@@H]3CCC[C@@H]3N2c2c(cnn2Cc2ccccc2)C1=O |t:2|
Structure:
Search PDB for entries with ligand similarity: