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BDBM40418 2-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one::2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one::2-(2,4-dimethoxyphenyl)-4-hydroxy-1-[2-(4-morpholinyl)ethyl]-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-5-one::5-(2,4-dimethoxyphenyl)-3-hydroxy-1-(2-morpholinoethyl)-4-(2-thenoyl)-3-pyrrolin-2-one::UNM000003551201::cid_15996528

SMILES: COc1ccc(C2C(C(=O)c3cccs3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1

InChI Key: InChIKey=CHGBVULFPURFDI-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 = 40418   
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
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM40418
PNG
(2-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-...)
Show SMILES COc1ccc(C2C(C(=O)c3cccs3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1
Show InChI InChI=1S/C23H26N2O6S/c1-29-15-5-6-16(17(14-15)30-2)20-19(21(26)18-4-3-13-32-18)22(27)23(28)25(20)8-7-24-9-11-31-12-10-24/h3-6,13-14,19-20H,7-12H2,1-2H3
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PCBioAssay
2.90E+3n/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/Q2Z31X1B
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM40418
PNG
(2-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-...)
Show SMILES COc1ccc(C2C(C(=O)c3cccs3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1
Show InChI InChI=1S/C23H26N2O6S/c1-29-15-5-6-16(17(14-15)30-2)20-19(21(26)18-4-3-13-32-18)22(27)23(28)25(20)8-7-24-9-11-31-12-10-24/h3-6,13-14,19-20H,7-12H2,1-2H3
PDB

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PCBioAssay
>4.03E+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/Q26M3571
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM40418
PNG
(2-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-...)
Show SMILES COc1ccc(C2C(C(=O)c3cccs3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1
Show InChI InChI=1S/C23H26N2O6S/c1-29-15-5-6-16(17(14-15)30-2)20-19(21(26)18-4-3-13-32-18)22(27)23(28)25(20)8-7-24-9-11-31-12-10-24/h3-6,13-14,19-20H,7-12H2,1-2H3
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n/an/a 4.40E+3n/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/Q2TB1590
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM40418
PNG
(2-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-...)
Show SMILES COc1ccc(C2C(C(=O)c3cccs3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1
Show InChI InChI=1S/C23H26N2O6S/c1-29-15-5-6-16(17(14-15)30-2)20-19(21(26)18-4-3-13-32-18)22(27)23(28)25(20)8-7-24-9-11-31-12-10-24/h3-6,13-14,19-20H,7-12H2,1-2H3
PDB

NCI pathway
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antibodypedia
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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/Q22V2DH9
More data for this
Ligand-Target Pair