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BDBM79408 (5R)-6-[6-[(1E,3S,5Z)-3-hydroxyundeca-1,5-dienyl]-2-pyridinyl]hexane-1,5-diol::(5R)-6-[6-[(1E,3S,5Z)-3-hydroxyundeca-1,5-dienyl]-2-pyridyl]hexane-1,5-diol::(5R)-6-[6-[(1E,3S,5Z)-3-hydroxyundeca-1,5-dienyl]pyridin-2-yl]hexane-1,5-diol::(5R)-6-[6-[(1E,3S,5Z)-3-oxidanylundeca-1,5-dienyl]pyridin-2-yl]hexane-1,5-diol::MLS000028864::SMR000058935::U-75302::cid_6852392

SMILES: CCCCC\C=C/C[C@H](O)\C=C\c1cccc(C[C@H](O)CCCCO)n1

InChI Key: InChIKey=JNBOAUIJLDEICX-DWJNXXKWSA-N

Data: 4 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 6 hits for monomerid = 79408   
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
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM79408
PNG
((5R)-6-[6-[(1E,3S,5Z)-3-hydroxyundeca-1,5-dienyl]-...)
Show SMILES CCCCC\C=C/C[C@H](O)\C=C\c1cccc(C[C@H](O)CCCCO)n1
Show InChI InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6-,16-15+/t21-,22+/m0/s1
PDB

UniProtKB/SwissProt

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Article
PubMed
25n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)


Article DOI: 10.1074/jbc.M004512200
BindingDB Entry DOI: 10.7270/Q2XD1066
More data for this
Ligand-Target Pair
Leukotriene 2


(Homo sapiens (Human))
BDBM79408
PNG
((5R)-6-[6-[(1E,3S,5Z)-3-hydroxyundeca-1,5-dienyl]-...)
Show SMILES CCCCC\C=C/C[C@H](O)\C=C\c1cccc(C[C@H](O)CCCCO)n1
Show InChI InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6-,16-15+/t21-,22+/m0/s1
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120n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by PDSP Ki Database




Nature 387: 620-4 (1997)


Article DOI: 10.1038/42506
BindingDB Entry DOI: 10.7270/Q2TH8K7F
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM79408
PNG
((5R)-6-[6-[(1E,3S,5Z)-3-hydroxyundeca-1,5-dienyl]-...)
Show SMILES CCCCC\C=C/C[C@H](O)\C=C\c1cccc(C[C@H](O)CCCCO)n1
Show InChI InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6-,16-15+/t21-,22+/m0/s1
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700n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]- LTB4 binding on human whole cells


J Med Chem 36: 3308-20 (1993)


BindingDB Entry DOI: 10.7270/Q21R6R4P
More data for this
Ligand-Target Pair
Leukotriene 2


(Homo sapiens (Human))
BDBM79408
PNG
((5R)-6-[6-[(1E,3S,5Z)-3-hydroxyundeca-1,5-dienyl]-...)
Show SMILES CCCCC\C=C/C[C@H](O)\C=C\c1cccc(C[C@H](O)CCCCO)n1
Show InChI InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6-,16-15+/t21-,22+/m0/s1
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5.43E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)


Article DOI: 10.1074/jbc.M004512200
BindingDB Entry DOI: 10.7270/Q2XD1066
More data for this
Ligand-Target Pair
perilipin-1


(Homo sapiens (Human))
BDBM79408
PNG
((5R)-6-[6-[(1E,3S,5Z)-3-hydroxyundeca-1,5-dienyl]-...)
Show SMILES CCCCC\C=C/C[C@H](O)\C=C\c1cccc(C[C@H](O)CCCCO)n1
Show InChI InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6-,16-15+/t21-,22+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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UniChem

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PCBioAssay
n/an/a 5.05E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2HT2MS2
More data for this
Ligand-Target Pair
perilipin-5


(Homo sapiens (Human))
BDBM79408
PNG
((5R)-6-[6-[(1E,3S,5Z)-3-hydroxyundeca-1,5-dienyl]-...)
Show SMILES CCCCC\C=C/C[C@H](O)\C=C\c1cccc(C[C@H](O)CCCCO)n1
Show InChI InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6-,16-15+/t21-,22+/m0/s1
KEGG

UniProtKB/SwissProt

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PCBioAssay
n/an/a 5.28E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2D21W3H
More data for this
Ligand-Target Pair