BDBM94507 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid::2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate;2-oxidanylpropane-1,2,3-tricarboxylic acid::2-hydroxypropane-1,2,3-tricarboxylic acid;1-phenyl-1-cyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester::CARBETAPENTANE::CHEMBL73234::Carbetapentane citrate::MLS002222257::SMR000326757::cid_90010::citric acid;1-phenylcyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester
SMILES: CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
InChI Key: InChIKey=CFJMRBQWBDQYMK-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HTR3A (GUINEA PIG) | BDBM94507![]() (2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Discovery Research Curated by PDSP Ki Database | J Pharmacol Exp Ther 267: 961-70 (1993) Article DOI: 10.1016/j.bioorg.2015.05.005 BindingDB Entry DOI: 10.7270/Q2125R5V | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM94507![]() (2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 10.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Georgia Curated by PDSP Ki Database | J Pharmacol Exp Ther 289: 251-60 (1999) BindingDB Entry DOI: 10.7270/Q2R49P9J | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (RAT) | BDBM94507![]() (2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Tested for its binding affinity towards sigma-1 site in presence of [3H]- dextromethorphan | J Med Chem 37: 2285-91 (1994) BindingDB Entry DOI: 10.7270/Q29S1RPS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (RAT) | BDBM94507![]() (2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Tested for its binding affinity towards sigma-1 site in presence of [3H]- -(+)3 PPP | J Med Chem 37: 2285-91 (1994) BindingDB Entry DOI: 10.7270/Q29S1RPS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM94507![]() (2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 19.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDA-IRP Curated by ChEMBL | Assay Description Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand | J Med Chem 46: 2589-98 (2003) Article DOI: 10.1021/jm030008u BindingDB Entry DOI: 10.7270/Q2H70GJN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (RAT) | BDBM94507![]() (2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Tested for its binding affinity towards sigma-1 site in presence of [3H]- - (+) pentazocine | J Med Chem 37: 2285-91 (1994) BindingDB Entry DOI: 10.7270/Q29S1RPS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (RAT) | BDBM94507![]() (2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Tested for its binding affinity towards sigma-1 site in rat brain using E3H1-(+)-SKF 10047 as radioligand in rat brain | J Med Chem 37: 2285-91 (1994) BindingDB Entry DOI: 10.7270/Q29S1RPS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human)) | BDBM94507![]() (2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Binding affinity towards muscarinic m1 receptor | J Med Chem 37: 2285-91 (1994) BindingDB Entry DOI: 10.7270/Q29S1RPS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HTR3A (GUINEA PIG) | BDBM94507![]() (2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 165 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Discovery Research Curated by PDSP Ki Database | J Pharmacol Exp Ther 267: 961-70 (1993) Article DOI: 10.1016/j.bioorg.2015.05.005 BindingDB Entry DOI: 10.7270/Q2125R5V | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human)) | BDBM94507![]() (2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 167 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Binding affinity towards muscarinic m2 receptor | J Med Chem 37: 2285-91 (1994) BindingDB Entry DOI: 10.7270/Q29S1RPS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM94507![]() (2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDA-IRP Curated by ChEMBL | Assay Description Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain | J Med Chem 46: 2589-98 (2003) Article DOI: 10.1021/jm030008u BindingDB Entry DOI: 10.7270/Q2H70GJN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM94507![]() (2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Binding affinity to dopamine transporter (DAT) using [3H]WIN-35428 as a radioligand | J Med Chem 43: 4151-9 (2000) Article DOI: 10.1021/jm990472s BindingDB Entry DOI: 10.7270/Q2PK0JWZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic Alpha (Homo sapiens (Human)) | BDBM94507![]() (2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of MPP+ after 1 min | J Med Chem 60: 2685-2696 (2017) Article DOI: 10.1021/acs.jmedchem.6b01317 BindingDB Entry DOI: 10.7270/Q2NV9MHQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
perilipin-5 (Homo sapiens (Human)) | BDBM94507![]() (2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q24B2ZW9 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prolylcarboxypeptidase (PRCP) (Homo sapiens (Human)) | BDBM94507![]() (2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago 60607-7061 Curated by ChEMBL | Assay Description Inhibition of [3H]- (+) - pentazocine binding to PCP receptor obtained from tissue homogenate preparation of fresh whole rat brain minus cerebellum | J Med Chem 41: 468-77 (1998) Article DOI: 10.1021/jm970059p BindingDB Entry DOI: 10.7270/Q27W6CW7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
perilipin-1 (Homo sapiens (Human)) | BDBM94507![]() (2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2CV4GBF | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepatocyte nuclear factor 4-alpha (Homo sapiens (Human)) | BDBM94507![]() (2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2736PH3 | ||||||||||||
More data for this Ligand-Target Pair |