new BindingDB logo
myBDB logout

BDBM36908 2-methoxy-4-(5-piperidin-1-ylpenta-1,3-diynyl)phenol;hydrochloride::2-methoxy-4-(5-piperidinopenta-1,3-diynyl)phenol;hydrochloride::2-methoxy-4-[5-(1-piperidinyl)penta-1,3-diynyl]phenol;hydrochloride::MLS000078799::SMR000057989::cid_2852203

SMILES: COc1cc(ccc1O)C#CC#CCN1CCCCC1

InChI Key: InChIKey=LPKUMYWUEQDFFQ-UHFFFAOYSA-N

Data: 1 IC50  3 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 4 hits for monomerid = 36908   
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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36908
PNG
(2-methoxy-4-(5-piperidin-1-ylpenta-1,3-diynyl)phen...)
Show SMILES COc1cc(ccc1O)C#CC#CCN1CCCCC1
Show InChI InChI=1S/C17H19NO2/c1-20-17-14-15(9-10-16(17)19)8-4-2-5-11-18-12-6-3-7-13-18/h9-10,14,19H,3,6-7,11-13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/an/an/a 7.10E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM36908
PNG
(2-methoxy-4-(5-piperidin-1-ylpenta-1,3-diynyl)phen...)
Show SMILES COc1cc(ccc1O)C#CC#CCN1CCCCC1
Show InChI InChI=1S/C17H19NO2/c1-20-17-14-15(9-10-16(17)19)8-4-2-5-11-18-12-6-3-7-13-18/h9-10,14,19H,3,6-7,11-13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.03E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36908
PNG
(2-methoxy-4-(5-piperidin-1-ylpenta-1,3-diynyl)phen...)
Show SMILES COc1cc(ccc1O)C#CC#CCN1CCCCC1
Show InChI InChI=1S/C17H19NO2/c1-20-17-14-15(9-10-16(17)19)8-4-2-5-11-18-12-6-3-7-13-18/h9-10,14,19H,3,6-7,11-13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/an/an/a 8.34E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36908
PNG
(2-methoxy-4-(5-piperidin-1-ylpenta-1,3-diynyl)phen...)
Show SMILES COc1cc(ccc1O)C#CC#CCN1CCCCC1
Show InChI InChI=1S/C17H19NO2/c1-20-17-14-15(9-10-16(17)19)8-4-2-5-11-18-12-6-3-7-13-18/h9-10,14,19H,3,6-7,11-13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/an/an/a 6.39E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair