BDBM50126458 (6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((R)-1-benzyl-pyrrolidin-3-yl)-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione::CHEMBL32255
SMILES: O=C1CN([C@@H]2CCN(Cc3ccccc3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
InChI Key: InChIKey=PPJODYFRWIXBIM-PCFFTZKOSA-N
Data: 4 IC50
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human)) | BDBM50126458 ((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((R)-1-benzyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue | Bioorg Med Chem Lett 13: 1425-8 (2003) BindingDB Entry DOI: 10.7270/Q2GM86N6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Phosphodiesterase 6 (Homo sapiens (Human)) | BDBM50126458 ((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((R)-1-benzyl-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 249 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Inhibitory activity against phosphodiesterase 6 (PDE6) obtained from canine or bovine retina | Bioorg Med Chem Lett 13: 1425-8 (2003) BindingDB Entry DOI: 10.7270/Q2GM86N6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphodiesterase 5A (Bos taurus) | BDBM50126458 ((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((R)-1-benzyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Inhibition of bovine PDE5 after 24 hrs by time-resolved fluorescence resonance energy transfer assay | J Med Chem 55: 1274-86 (2012) Article DOI: 10.1021/jm201422e BindingDB Entry DOI: 10.7270/Q2WW7JPW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphodiesterase 11A (PDE11A) (Homo sapiens (Human)) | BDBM50126458 ((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((R)-1-benzyl-...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression | Bioorg Med Chem Lett 13: 1425-8 (2003) BindingDB Entry DOI: 10.7270/Q2GM86N6 | |||||||||||
More data for this Ligand-Target Pair |