BDBM50018518 ((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphthalen-1-ylmethyl-amine::(6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphthalen-1-ylmethyl-amine::(6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphthalen-1-ylmethyl-amine(Terbinafine)::(E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine::1N,6,6-trimethyl-1N-(1-naphthylmethyl)-(E)-2-hepten-4-yn-1-amine::CHEMBL822::Lamisil::Lamisil at::N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine::N-[(2E)-6,6-dimethyl-2-hepten-4-yn-1-yl]-N-methyl-1-naphthalenemethanamine::SF-86-327::TERBINAFINE::Terbinafin::Terbinafine Hydrochloride::cid_1549008
SMILES: CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12
InChI Key: InChIKey=DOMXUEMWDBAQBQ-WEVVVXLNSA-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 |
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Squalene monooxygenase (Homo sapiens (Human)) | BDBM50018518 (((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | DrugBank PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York Curated by ChEMBL | Assay Description Apparent inhibitory constant of the compound against squalene epoxidase | J Med Chem 32: 2152-8 (1989) BindingDB Entry DOI: 10.7270/Q21835HM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-8 sterol isomerase (Saccharomyces cerevisiae) | BDBM50018518 (((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Affinity for ERG2 of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand | J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Anti-estrogen binding site (AEBS) (Homo sapiens (Human)) | BDBM50018518 (((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand | J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Squalene monooxygenase (Rattus norvegicus) | BDBM50018518 (((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 9.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York Curated by ChEMBL | Assay Description Inhibitory activity against rat liver Squalene Epoxidase | J Med Chem 32: 2152-8 (1989) BindingDB Entry DOI: 10.7270/Q21835HM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM50018518 (((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50018518 (((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human)) | BDBM50018518 (((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute Curated by PubChem BioAssay | PubChem Bioassay (2016) BindingDB Entry DOI: 10.7270/Q2CZ35ZF | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM50018518 (((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM50018518 (((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Squalene monooxygenase (Homo sapiens (Human)) | BDBM50018518 (((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | DrugBank PubMed | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York Curated by ChEMBL | Assay Description Inhibitory activity against guinea pig Squalene Epoxidase | J Med Chem 32: 2152-8 (1989) BindingDB Entry DOI: 10.7270/Q21835HM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human)) | BDBM50018518 (((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Southern Research Institute Curated by PubChem BioAssay | PubChem Bioassay (2016) BindingDB Entry DOI: 10.7270/Q2CZ35ZF | ||||||||||||
More data for this Ligand-Target Pair |