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BDBM50198568 (6R,12aR)-6-benzo[1,3]dioxol-5-yl-2-(4-butyl-phenyl)-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione::CHEMBL397115

SMILES: CCCCc1ccc(cc1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O

InChI Key: InChIKey=PHGUIGHTMAHCOX-FYBSXPHGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50198568   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphodiesterase 5A


(Bos taurus)
BDBM50198568
PNG
((6R,12aR)-6-benzo[1,3]dioxol-5-yl-2-(4-butyl-pheny...)
Show SMILES CCCCc1ccc(cc1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C31H29N3O4/c1-2-3-6-19-9-12-21(13-10-19)33-17-28(35)34-25(31(33)36)16-23-22-7-4-5-8-24(22)32-29(23)30(34)20-11-14-26-27(15-20)38-18-37-26/h4-5,7-15,25,30,32H,2-3,6,16-18H2,1H3/t25-,30-/m1/s1
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Article
PubMed
n/an/a 152n/an/an/an/an/an/a



Inserm U761 Biostructures and Drug Discovery Lille

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5 after 24 hrs by HTRF


Bioorg Med Chem Lett 17: 789-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.069
BindingDB Entry DOI: 10.7270/Q2BV7G8C
More data for this
Ligand-Target Pair