Found 11 hits for monomerid = 50059033 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 |
Phosphodiesterase 1
(Homo sapiens (Human)) | BDBM50059033
((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)Show SMILES CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41 |t:5| Show InChI InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| Article PubMed
| 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Inhibition of human phosphodiesterase 1 |
J Med Chem 48: 3449-62 (2005)
Article DOI: 10.1021/jm040217u BindingDB Entry DOI: 10.7270/Q21G0N2H |
More data for this Ligand-Target Pair | |
Hsf1 protein
(Mus musculus) | BDBM50059033
((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)Show SMILES CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41 |t:5| Show InChI InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1 | PDB
KEGG
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| PCBioAssay
| n/a | n/a | n/a | n/a | >1.95E+5 | n/a | n/a | n/a | n/a |
Broad Institute
Curated by PubChem BioAssay
| Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly... |
PubChem Bioassay (2010)
BindingDB Entry DOI: 10.7270/Q2MW2FKX |
More data for this Ligand-Target Pair | |
Heart phosphodiesterase
(Bos taurus) | BDBM50059033
((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)Show SMILES CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41 |t:5| Show InChI InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1 | PDB MMDB
KEGG
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| Article PubMed
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart |
J Med Chem 40: 2196-210 (1997)
Article DOI: 10.1021/jm9608467 BindingDB Entry DOI: 10.7270/Q2G44PFZ |
More data for this Ligand-Target Pair | |
Phosphodiesterase 5A
(Bos taurus) | BDBM50059033
((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)Show SMILES CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41 |t:5| Show InChI InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung |
J Med Chem 40: 2196-210 (1997)
Article DOI: 10.1021/jm9608467 BindingDB Entry DOI: 10.7270/Q2G44PFZ |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
(Homo sapiens (Human)) | BDBM50059033
((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)Show SMILES CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41 |t:5| Show InChI InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| | n/a | n/a | 7.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50059033
((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)Show SMILES CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41 |t:5| Show InChI InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50059033
((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)Show SMILES CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41 |t:5| Show InChI InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of Cyclin-dependent kinase 2 cyclin A |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent 3',5'-cyclic phosphodiesterase 1A
(Homo sapiens (Human)) | BDBM50059033
((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)Show SMILES CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41 |t:5| Show InChI InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1 | KEGG
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| PubMed
| n/a | n/a | 1.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description Inhibition of PDE1A (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
|
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent 3',5'-cyclic phosphodiesterase 1A
(Homo sapiens (Human)) | BDBM50059033
((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)Show SMILES CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41 |t:5| Show InChI InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1 | KEGG
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| PubMed
| n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description Binding affinity to PDE1A (unknown origin) assessed as dissociation constant by SPR assay |
Bioorg Med Chem Lett 30: (2020)
|
More data for this Ligand-Target Pair | |
Genome polyprotein
(West Nile virus) | BDBM50059033
((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)Show SMILES CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41 |t:5| Show InChI InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1 | PDB MMDB
KEGG
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| PCBioAssay
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center
Curated by PubChem BioAssay
| Assay Description The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776... |
PubChem Bioassay (2007)
BindingDB Entry DOI: 10.7270/Q2222S6W |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
(Homo sapiens (Human)) | BDBM50059033
((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)Show SMILES CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41 |t:5| Show InChI InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of full length GST-tagged PDE1B (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP ... |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |