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BDBM33588 MLS000051414::N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide::N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propionamide::N-(3-ethanoylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide::N~1~-(3-acetylphenyl)-N~2~-[(4-methoxyphenyl)sulfonyl]alaninamide::SMR000079607::cid_2967634

SMILES: COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)Nc1cccc(c1)C(C)=O

InChI Key: InChIKey=QCTDICKJCSVWPY-UHFFFAOYSA-N

Data: 2 KI  3 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 = 33588   
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))
BDBM33588
PNG
(MLS000051414 | N-(3-acetylphenyl)-2-[(4-methoxyphe...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)Nc1cccc(c1)C(C)=O
Show InChI InChI=1S/C18H20N2O5S/c1-12(18(22)19-15-6-4-5-14(11-15)13(2)21)20-26(23,24)17-9-7-16(25-3)8-10-17/h4-12,20H,1-3H3,(H,19,22)
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC sid
UniChem
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/Q2DF6PMF
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM33588
PNG
(MLS000051414 | N-(3-acetylphenyl)-2-[(4-methoxyphe...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)Nc1cccc(c1)C(C)=O
Show InChI InChI=1S/C18H20N2O5S/c1-12(18(22)19-15-6-4-5-14(11-15)13(2)21)20-26(23,24)17-9-7-16(25-3)8-10-17/h4-12,20H,1-3H3,(H,19,22)
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PC sid
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>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))
BDBM33588
PNG
(MLS000051414 | N-(3-acetylphenyl)-2-[(4-methoxyphe...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)Nc1cccc(c1)C(C)=O
Show InChI InChI=1S/C18H20N2O5S/c1-12(18(22)19-15-6-4-5-14(11-15)13(2)21)20-26(23,24)17-9-7-16(25-3)8-10-17/h4-12,20H,1-3H3,(H,19,22)
PDB

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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/Q2DF6PMF
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM33588
PNG
(MLS000051414 | N-(3-acetylphenyl)-2-[(4-methoxyphe...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)Nc1cccc(c1)C(C)=O
Show InChI InChI=1S/C18H20N2O5S/c1-12(18(22)19-15-6-4-5-14(11-15)13(2)21)20-26(23,24)17-9-7-16(25-3)8-10-17/h4-12,20H,1-3H3,(H,19,22)
PDB

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antibodypedia
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n/an/a>5.00E+4n/an/an/an/a7.523



PCMD

Curated by PubChem BioAssay


Assay Description
HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K64GDN
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM33588
PNG
(MLS000051414 | N-(3-acetylphenyl)-2-[(4-methoxyphe...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)Nc1cccc(c1)C(C)=O
Show InChI InChI=1S/C18H20N2O5S/c1-12(18(22)19-15-6-4-5-14(11-15)13(2)21)20-26(23,24)17-9-7-16(25-3)8-10-17/h4-12,20H,1-3H3,(H,19,22)
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
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