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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

Data: 3 KI  3 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50018518   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Squalene monooxygenase


(Homo sapiens)
BDBM50018518
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...)
Show SMILES CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12
Show InChI InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+
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PubMed
30n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity against Candida albicans Squalene Epoxidase


J Med Chem 32: 2152-8 (1989)

More data for this
Ligand-Target Pair
C-8 sterol isomerase


(Saccharomyces cerevisiae)
BDBM50018518
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...)
Show SMILES CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12
Show InChI InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+
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Article
PubMed
>5.00E+4n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens)
BDBM50018518
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...)
Show SMILES CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12
Show InChI InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+
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PubMed
>5.00E+4n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50018518
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...)
Show SMILES CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12
Show InChI InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50018518
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...)
Show SMILES CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12
Show InChI InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+
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PubMed
n/an/a 6.00E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Rattus norvegicus)
BDBM50018518
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...)
Show SMILES CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12
Show InChI InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+
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PubMed
n/an/a 9.30E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50018518
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...)
Show SMILES CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12
Show InChI InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+
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PCBioAssay
n/an/a>2.50E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)

More data for this
Ligand-Target Pair