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BDBM50170647 CHEMBL626::Methyl-naphthalen-1-ylmethyl-((E)-3-phenyl-allyl)-amine::Methyl-naphthalen-1-ylmethyl-(3-phenyl-allyl)-amine::NAFTIFINE::Naftin

SMILES: CN(C\C=C\c1ccccc1)Cc1cccc2ccccc12

InChI Key: InChIKey=OZGNYLLQHRPOBR-DHZHZOJOSA-N

Data: 3 KI  2 IC50

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 5 hits for monomerid = 50170647   
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
C-8 sterol isomerase


(Saccharomyces cerevisiae)
BDBM50170647
PNG
(CHEMBL626 | Methyl-naphthalen-1-ylmethyl-((E)-3-ph...)
Show SMILES CN(C\C=C\c1ccccc1)Cc1cccc2ccccc12
Show InChI InChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3/b11-8+
KEGG

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KEGG
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Article
PubMed
310n/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)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50170647
PNG
(CHEMBL626 | Methyl-naphthalen-1-ylmethyl-((E)-3-ph...)
Show SMILES CN(C\C=C\c1ccccc1)Cc1cccc2ccccc12
Show InChI InChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3/b11-8+
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Article
PubMed
880n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for sigma receptor type 1 of guinea pig 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)
BDBM50170647
PNG
(CHEMBL626 | Methyl-naphthalen-1-ylmethyl-((E)-3-ph...)
Show SMILES CN(C\C=C\c1ccccc1)Cc1cccc2ccccc12
Show InChI InChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3/b11-8+
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1.50E+3n/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)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50170647
PNG
(CHEMBL626 | Methyl-naphthalen-1-ylmethyl-((E)-3-ph...)
Show SMILES CN(C\C=C\c1ccccc1)Cc1cccc2ccccc12
Show InChI InChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3/b11-8+
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n/an/a 296n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of diapophytoene desaturase in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin pigment formation


J Med Chem 59: 4831-48 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00122
BindingDB Entry DOI: 10.7270/Q2FQ9ZKH
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50170647
PNG
(CHEMBL626 | Methyl-naphthalen-1-ylmethyl-((E)-3-ph...)
Show SMILES CN(C\C=C\c1ccccc1)Cc1cccc2ccccc12
Show InChI InChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3/b11-8+
UniProtKB/TrEMBL

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CHEMBL
KEGG
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Article
PubMed
n/an/a 8.83E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Newman 6His-tagged CrtN expressed in Escherichia coli BL21(DE3) using diapophytoene as substrate assessed as pigm...


J Med Chem 59: 3215-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01984
BindingDB Entry DOI: 10.7270/Q2SX6G5C
More data for this
Ligand-Target Pair