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BDBM37719 2-[[4-methyl-5-[[(3,4,5-triethoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester::2-[[4-methyl-5-[[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester::MLS000087567::SMR000023789::cid_3240462::methyl 2-[[4-methyl-5-[[(3,4,5-triethoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate::methyl 2-[[4-methyl-5-[[(3,4,5-triethoxyphenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate::methyl [(4-methyl-5-{[(3,4,5-triethoxybenzoyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate

SMILES: CCOc1cc(cc(OCC)c1OCC)C(=O)NCc1nnc(SCC(=O)OC)n1C

InChI Key: InChIKey=FBKXNYCVNSYGPT-UHFFFAOYSA-N

Data: 2 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 4 hits for monomerid = 37719   
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
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM37719
PNG
(2-[[4-methyl-5-[[(3,4,5-triethoxybenzoyl)amino]met...)
Show SMILES CCOc1cc(cc(OCC)c1OCC)C(=O)NCc1nnc(SCC(=O)OC)n1C
Show InChI InChI=1S/C20H28N4O6S/c1-6-28-14-9-13(10-15(29-7-2)18(14)30-8-3)19(26)21-11-16-22-23-20(24(16)4)31-12-17(25)27-5/h9-10H,6-8,11-12H2,1-5H3,(H,21,26)
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PC sid
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Similars

PCBioAssay
1.12E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37719
PNG
(2-[[4-methyl-5-[[(3,4,5-triethoxybenzoyl)amino]met...)
Show SMILES CCOc1cc(cc(OCC)c1OCC)C(=O)NCc1nnc(SCC(=O)OC)n1C
Show InChI InChI=1S/C20H28N4O6S/c1-6-28-14-9-13(10-15(29-7-2)18(14)30-8-3)19(26)21-11-16-22-23-20(24(16)4)31-12-17(25)27-5/h9-10H,6-8,11-12H2,1-5H3,(H,21,26)
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PCBioAssay
>4.37E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM37719
PNG
(2-[[4-methyl-5-[[(3,4,5-triethoxybenzoyl)amino]met...)
Show SMILES CCOc1cc(cc(OCC)c1OCC)C(=O)NCc1nnc(SCC(=O)OC)n1C
Show InChI InChI=1S/C20H28N4O6S/c1-6-28-14-9-13(10-15(29-7-2)18(14)30-8-3)19(26)21-11-16-22-23-20(24(16)4)31-12-17(25)27-5/h9-10H,6-8,11-12H2,1-5H3,(H,21,26)
PDB

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PCBioAssay
n/an/a 1.85E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37719
PNG
(2-[[4-methyl-5-[[(3,4,5-triethoxybenzoyl)amino]met...)
Show SMILES CCOc1cc(cc(OCC)c1OCC)C(=O)NCc1nnc(SCC(=O)OC)n1C
Show InChI InChI=1S/C20H28N4O6S/c1-6-28-14-9-13(10-15(29-7-2)18(14)30-8-3)19(26)21-11-16-22-23-20(24(16)4)31-12-17(25)27-5/h9-10H,6-8,11-12H2,1-5H3,(H,21,26)
PDB

Reactome pathway
KEGG

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antibodypedia
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UniChem

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PCBioAssay
n/an/a>6.67E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2J67FB5
More data for this
Ligand-Target Pair