Reaction Details
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High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
Ligand
BDBM50357234
Substrate
n/a
Meas. Tech.
ChEMBL_788343 (CHEMBL1918024)
IC50
>2000±n/a nM
Citation
Hughes, RO; Maddux, T; Joseph Rogier, D; Lu, S; Walker, JK; Jon Jacobsen, E; Rumsey, JM; Zheng, Y; Macinnes, A; Bond, BR; Han, S Investigation of the pyrazinones as PDE5 inhibitors: evaluation of regioisomeric projections into the solvent region. Bioorg Med Chem Lett 21:6348-52 (2011) [PubMed] Article More Info.:
Target
Name:
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
Synonyms:
PDE8B | PDE8B_HUMAN | Phosphodiesterase 8 | Phosphodiesterase 8B
Type:
PROTEIN
Mol. Mass.:
98984.88
Organism:
Homo sapiens (Human)
Description:
ChEMBL_876321
Residue:
885
Sequence:
MGCAPSIHVSQSGVIYCRDSDESSSPRQTTSVSQGPAAPLPGLFVQTDAADAIPPSRASGPPSVARVRRARTELGSGSSAGSAAPAATTSRGRRRHCCSSAEAETQTCYTSVKQVSSAEVRIGPMRLTQDPIQVLLIFAKEDSQSDGFWWACDRAGYRCNIARTPESALECFLDKHHEIIVIDHRQTQNFDAEAVCRSIRATNPSEHTVILAVVSRVSDDHEEASVLPLLHAGFNRRFMENSSIIACYNELIQIEHGEVRSQFKLRACNSVFTALDHCHEAIEITSDDHVIQYVNPAFERMMGYHKGELLGKELADLPKSDKNRADLLDTINTCIKKGKEWQGVYYARRKSGDSIQQHVKITPVIGQGGKIRHFVSLKKLCCTTDNNKQIHKIHRDSGDNSQTEPHSFRYKNRRKESIDVKSISSRGSDAPSLQNRRYPSMARIHSMTIEAPITKVINIINAAQENSPVTVAEALDRVLEILRTTELYSPQLGTKDEDPHTSDLVGGLMTDGLRRLSGNEYVFTKNVHQSHSHLAMPITINDVPPCISQLLDNEESWDFNIFELEAITHKRPLVYLGLKVFSRFGVCEFLNCSETTLRAWFQVIEANYHSSNAYHNSTHAADVLHATAFFLGKERVKGSLDQLDEVAALIAATVHDVDHPGRTNSFLCNAGSELAVLYNDTAVLESHHTALAFQLTVKDTKCNIFKNIDRNHYRTLRQAIIDMVLATEMTKHFEHVNKFVNSINKPMAAEIEGSDCECNPAGKNFPENQILIKRMMIKCADVANPCRPLDLCIEWAGRISEEYFAQTDEEKRQGLPVVMPVFDRNTCSIPKSQISFIDYFITDMFDAWDAFAHLPALMQHLADNYKHWKTLDDLKCKSLRLPSDS
Inhibitor
Name:
BDBM50357234
Synonyms:
CHEMBL1916475
Type:
Small organic molecule
Emp. Form.:
C23H30N6O4
Mol. Mass.:
454.5221
SMILES:
CCCOCCn1c2cc(nnc2c(NC2CCC(O)CC2)nc1=O)-c1ccc(OC)nc1 |(22.74,-11.54,;21.41,-12.31,;20.07,-11.54,;18.74,-12.31,;18.74,-13.85,;17.41,-14.62,;17.41,-16.16,;18.74,-16.94,;20.06,-16.18,;21.39,-16.94,;21.39,-18.48,;20.06,-19.25,;18.73,-18.48,;17.41,-19.24,;17.41,-20.78,;16.08,-21.56,;14.75,-20.78,;13.42,-21.54,;13.41,-23.08,;12.08,-23.85,;14.75,-23.86,;16.09,-23.09,;16.08,-18.48,;16.08,-16.94,;14.74,-16.18,;22.71,-16.16,;22.71,-14.63,;24.03,-13.85,;25.38,-14.61,;26.71,-13.84,;28.04,-14.6,;25.38,-16.16,;24.05,-16.93,)|
Structure:
