BindingDB PrimarySearch

BDBM50059033 (11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H-3a,9b-diaza-benzo[cd]fluoranthene-10-carboxylic acid ethyl ester::(3S,16S)-apovincaminic acid ethylester::(3aS,11bS)-3a-ethyl-1,2,3,3a,10,11b-hexahydro-11H-5a,11a-diaza-benzo[cd]fluoranthene-5-carboxylic acid ethyl ester::11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H-3a,9b-diaza-benzo[cd]fluoranthene-10-carboxylic acid 2-nitrooxy-ethyl ester(Vinpocetine)::CHEMBL71752::Vinpocetine::cid_443955

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

InChI Key: InChIKey=DDNCQMVWWZOMLN-IRLDBZIGSA-N

Data: 1 KI 7 IC50 1 Kd 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

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	k_off s^-1	k_on 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 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	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
Monash University (Parkville Campus) Curated by ChEMBL					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 Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	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
Broad Institute Curated by PubChem BioAssay					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 Show InChI	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	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
Schering-Plough Research Institute Curated by ChEMBL					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 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	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
Schering-Plough Research Institute Curated by ChEMBL					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 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	7.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					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 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	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
Dart Neuroscience LLC Curated by ChEMBL					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 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	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
Dart Neuroscience LLC Curated by ChEMBL					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 Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	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)
Peking University Curated by ChEMBL					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 Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	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)
Peking University Curated by ChEMBL					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 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	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 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	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
Dart Neuroscience LLC Curated by ChEMBL					More data for this Ligand-Target Pair