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BDBM37686 2-(4-benzylpiperazin-1-yl)-4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine::2-(4-benzylpiperazino)-4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine::4-(3,4-dimethoxyphenyl)-2-[4-(phenylmethyl)-1-piperazinyl]-6-(trifluoromethyl)pyrimidine::4-(3,4-dimethoxyphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine::MLS000044552::SMR000022329::cid_2992722

SMILES: COc1ccc(cc1OC)-c1cc(nc(n1)N1CCN(Cc2ccccc2)CC1)C(F)(F)F

InChI Key: InChIKey=NIWPGRIRBQXFLJ-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 = 37686   
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))
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
fMet-Leu-Phe receptor 1/2


(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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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
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
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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>3.17E+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)
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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>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)
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>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
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
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>4.85E+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/Q2X34VV3
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(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 1.65E+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
fMet-Leu-Phe receptor 1/2


(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