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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'N-formyl peptide receptor 2' and Ligand = 'BDBM37686'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM37686
PNG
(2-(4-benzylpiperazin-1-yl)-4-(3,4-dimethoxyphenyl)...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)N1CCN(Cc2ccccc2)CC1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O2/c1-32-20-9-8-18(14-21(20)33-2)19-15-22(24(25,26)27)29-23(28-19)31-12-10-30(11-13-31)16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3
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7.30E+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/Q2DF6PMF
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM37686
PNG
(2-(4-benzylpiperazin-1-yl)-4-(3,4-dimethoxyphenyl)...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)N1CCN(Cc2ccccc2)CC1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O2/c1-32-20-9-8-18(14-21(20)33-2)19-15-22(24(25,26)27)29-23(28-19)31-12-10-30(11-13-31)16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3
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UniChem

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PCBioAssay
1.00E+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/Q2SF2TKJ
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM37686
PNG
(2-(4-benzylpiperazin-1-yl)-4-(3,4-dimethoxyphenyl)...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)N1CCN(Cc2ccccc2)CC1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O2/c1-32-20-9-8-18(14-21(20)33-2)19-15-22(24(25,26)27)29-23(28-19)31-12-10-30(11-13-31)16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3
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n/an/a 1.21E+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
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM37686
PNG
(2-(4-benzylpiperazin-1-yl)-4-(3,4-dimethoxyphenyl)...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)N1CCN(Cc2ccccc2)CC1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O2/c1-32-20-9-8-18(14-21(20)33-2)19-15-22(24(25,26)27)29-23(28-19)31-12-10-30(11-13-31)16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.65E+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/Q2NP22V6
More data for this
Ligand-Target Pair