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BDBM37701 4-(3,4-dimethoxyphenyl)-2-(4-phenyl-1-piperazinyl)-6-(trifluoromethyl)pyrimidine::4-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine::4-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazino)-6-(trifluoromethyl)pyrimidine::MLS000044553::SMR000022330::cid_3237714

SMILES: COc1ccc(cc1OC)-c1cc(nc(n1)N1CCN(CC1)c1ccccc1)C(F)(F)F

InChI Key: InChIKey=XSOPROKNVPAYLL-UHFFFAOYSA-N

Data: 4 KI  4 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 8 hits for monomerid = 37701   
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 1/2


(Homo sapiens (human))
BDBM37701
PNG
(4-(3,4-dimethoxyphenyl)-2-(4-phenyl-1-piperazinyl)...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)N1CCN(CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O2/c1-31-19-9-8-16(14-20(19)32-2)18-15-21(23(24,25)26)28-22(27-18)30-12-10-29(11-13-30)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3
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>3.02E+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
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM37701
PNG
(4-(3,4-dimethoxyphenyl)-2-(4-phenyl-1-piperazinyl)...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)N1CCN(CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O2/c1-31-19-9-8-16(14-20(19)32-2)18-15-21(23(24,25)26)28-22(27-18)30-12-10-29(11-13-30)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3
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>3.27E+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/Q21V5CBG
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (human))
BDBM37701
PNG
(4-(3,4-dimethoxyphenyl)-2-(4-phenyl-1-piperazinyl)...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)N1CCN(CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O2/c1-31-19-9-8-16(14-20(19)32-2)18-15-21(23(24,25)26)28-22(27-18)30-12-10-29(11-13-30)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3
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>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 1/2


(Homo sapiens)
BDBM37701
PNG
(4-(3,4-dimethoxyphenyl)-2-(4-phenyl-1-piperazinyl)...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)N1CCN(CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O2/c1-31-19-9-8-16(14-20(19)32-2)18-15-21(23(24,25)26)28-22(27-18)30-12-10-29(11-13-30)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3
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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
fMet-Leu-Phe receptor 1/2


(Homo sapiens (human))
BDBM37701
PNG
(4-(3,4-dimethoxyphenyl)-2-(4-phenyl-1-piperazinyl)...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)N1CCN(CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O2/c1-31-19-9-8-16(14-20(19)32-2)18-15-21(23(24,25)26)28-22(27-18)30-12-10-29(11-13-30)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3
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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
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM37701
PNG
(4-(3,4-dimethoxyphenyl)-2-(4-phenyl-1-piperazinyl)...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)N1CCN(CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O2/c1-31-19-9-8-16(14-20(19)32-2)18-15-21(23(24,25)26)28-22(27-18)30-12-10-29(11-13-30)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3
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n/an/a>5.00E+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/Q2X34VV3
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (human))
BDBM37701
PNG
(4-(3,4-dimethoxyphenyl)-2-(4-phenyl-1-piperazinyl)...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)N1CCN(CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O2/c1-31-19-9-8-16(14-20(19)32-2)18-15-21(23(24,25)26)28-22(27-18)30-12-10-29(11-13-30)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3
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n/an/a>5.00E+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
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM37701
PNG
(4-(3,4-dimethoxyphenyl)-2-(4-phenyl-1-piperazinyl)...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)N1CCN(CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O2/c1-31-19-9-8-16(14-20(19)32-2)18-15-21(23(24,25)26)28-22(27-18)30-12-10-29(11-13-30)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3
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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/Q2J67FB5
More data for this
Ligand-Target Pair