Reaction Details Report a problem with these data
Target
Phosphodiesterase
Ligand
BDBM50061904
Substrate
n/a
Meas. Tech.
ChEMBL_156453 (CHEMBL764831)
IC50
29000±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
More Info.:
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:
BDBM50061904
Synonyms:
CHEMBL343781 | Rac-(6aR*,9aS*)-5,6a,7,8,9,9a-Hexahydro-1,5-dimethyl-3-(phenylmethyl)cyclopent[4,5]imidazo[12-a]pyrazolo-[4,3-e]pyrimidin-4(1H)-one
Type:
Small organic molecule
Emp. Form.:
C19H21N5O
Mol. Mass.:
335.4029
SMILES:
CN1C2=N[C@@H]3CCC[C@@H]3N2c2c(c(Cc3ccccc3)nn2C)C1=O |t:2|