null

SMILES CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41

InChI Key InChIKey=DDNCQMVWWZOMLN-IRLDBZIGSA-N

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50059033   

TargetDual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C(Homo sapiens (Human))
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50059033((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)copy SMILEScopy InChI
Affinity DataKi:  1.40E+4nMAssay Description:Inhibition of human phosphodiesterase 1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21G0N2HPubMed
TargetHeat shock factor protein 1(Mus musculus)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM50059033((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)copy SMILEScopy InChI
Affinity DataEC50: >1.95E+5nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MW2FKXPCBioAssay
TargetPhosphodiesterase(Bos taurus)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50059033((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+5nMAssay Description:Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heartMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G44PFZPubMed
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Bos taurus)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50059033((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+5nMAssay Description:Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lungMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G44PFZPubMed
LigandPNGBDBM50059033((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay 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 ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D79DP3PubMed
LigandPNGBDBM50059033((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+4nMAssay Description:Antagonist activity at AT1 receptor assessed inhibition of angiotensin-2-induced contraction of rabbit thoracic aortic ringsMore data for this Ligand-Target Pair
In DepthDetails
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Homo sapiens (Human))
Dart Neuroscience LLC

Curated by ChEMBL
LigandPNGBDBM50059033((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of Cyclin-dependent kinase 2 cyclin AMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D79DP3PubMed
LigandPNGBDBM50059033((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)copy SMILEScopy InChI
Affinity DataIC50: 1.88E+4nMAssay Description:Inhibition of PDE1A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VX0M21PubMed
LigandPNGBDBM50059033((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)copy SMILEScopy InChI
Affinity DataKd:  14nMAssay Description:Binding affinity to PDE1A (unknown origin) assessed as dissociation constant by SPR assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VX0M21PubMed
LigandPNGBDBM50059033((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)copy SMILEScopy InChI
Affinity DataIC50: 7.99E+3nMAssay Description:Inhibition of human recombinant PDE1B using cAMP as substrate incubated for 20 mins measured by Kinase Glo reagent based microplate reader assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RJ4P6FPubMed
TargetDual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C(Homo sapiens (Human))
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50059033((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RX9H3QPubMed
LigandPNGBDBM50059033((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assayMore data for this Ligand-Target Pair
In DepthDetails
TargetGenome polyprotein(West Nile virus)
University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50059033((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2222S6WPCBioAssay
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Dart Neuroscience LLC

Curated by ChEMBL
LigandPNGBDBM50059033((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)copy SMILEScopy InChI
Affinity DataIC50: 39nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D79DP3PubMed