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BDBM40747 2-(4-benzhydrylpiperazin-1-yl)-4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine::2-(4-benzhydrylpiperazino)-4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine::4-(3,4-dimethoxyphenyl)-2-[4-(diphenylmethyl)-1-piperazinyl]-6-(trifluoromethyl)pyrimidine::4-(3,4-dimethoxyphenyl)-2-[4-(diphenylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine::UNM000003655001::cid_16061387

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

InChI Key: InChIKey=IACKDFUKVOKKHZ-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 = 40747   
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))
BDBM40747
PNG
(2-(4-benzhydrylpiperazin-1-yl)-4-(3,4-dimethoxyphe...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C30H29F3N4O2/c1-38-25-14-13-23(19-26(25)39-2)24-20-27(30(31,32)33)35-29(34-24)37-17-15-36(16-18-37)28(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19-20,28H,15-18H2,1-2H3
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PCBioAssay
>2.51E+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


(Homo sapiens (Human))
BDBM40747
PNG
(2-(4-benzhydrylpiperazin-1-yl)-4-(3,4-dimethoxyphe...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C30H29F3N4O2/c1-38-25-14-13-23(19-26(25)39-2)24-20-27(30(31,32)33)35-29(34-24)37-17-15-36(16-18-37)28(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19-20,28H,15-18H2,1-2H3
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PCBioAssay
>2.72E+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


(Homo sapiens (Human))
BDBM40747
PNG
(2-(4-benzhydrylpiperazin-1-yl)-4-(3,4-dimethoxyphe...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C30H29F3N4O2/c1-38-25-14-13-23(19-26(25)39-2)24-20-27(30(31,32)33)35-29(34-24)37-17-15-36(16-18-37)28(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19-20,28H,15-18H2,1-2H3
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n/an/a>4.16E+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
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM40747
PNG
(2-(4-benzhydrylpiperazin-1-yl)-4-(3,4-dimethoxyphe...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C30H29F3N4O2/c1-38-25-14-13-23(19-26(25)39-2)24-20-27(30(31,32)33)35-29(34-24)37-17-15-36(16-18-37)28(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19-20,28H,15-18H2,1-2H3
PDB

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PC sid
UniChem

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PCBioAssay
n/an/a>4.16E+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