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BDBM32078 1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-morpholin-4-ylethyl)urea::1-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-morpholin-4-ylethyl)urea::1-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-morpholinoethyl)urea::1-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-[2-(4-morpholinyl)ethyl]urea::MLS000057988::SMR000015933::cid_3000005

SMILES: FC(F)(F)C1(NC(=O)NCCN2CCOCC2)Oc2ccc(Cl)cc2O1

InChI Key: InChIKey=PUOCBSFTZJMQPP-UHFFFAOYSA-N

Data: 2 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 6 hits for monomerid = 32078   
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))
BDBM32078
PNG
(1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...)
Show SMILES FC(F)(F)C1(NC(=O)NCCN2CCOCC2)Oc2ccc(Cl)cc2O1
Show InChI InChI=1S/C15H17ClF3N3O4/c16-10-1-2-11-12(9-10)26-15(25-11,14(17,18)19)21-13(23)20-3-4-22-5-7-24-8-6-22/h1-2,9H,3-8H2,(H2,20,21,23)
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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


(Homo sapiens (Human))
BDBM32078
PNG
(1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...)
Show SMILES FC(F)(F)C1(NC(=O)NCCN2CCOCC2)Oc2ccc(Cl)cc2O1
Show InChI InChI=1S/C15H17ClF3N3O4/c16-10-1-2-11-12(9-10)26-15(25-11,14(17,18)19)21-13(23)20-3-4-22-5-7-24-8-6-22/h1-2,9H,3-8H2,(H2,20,21,23)
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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
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM32078
PNG
(1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...)
Show SMILES FC(F)(F)C1(NC(=O)NCCN2CCOCC2)Oc2ccc(Cl)cc2O1
Show InChI InChI=1S/C15H17ClF3N3O4/c16-10-1-2-11-12(9-10)26-15(25-11,14(17,18)19)21-13(23)20-3-4-22-5-7-24-8-6-22/h1-2,9H,3-8H2,(H2,20,21,23)
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n/an/a 5.00E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM32078
PNG
(1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...)
Show SMILES FC(F)(F)C1(NC(=O)NCCN2CCOCC2)Oc2ccc(Cl)cc2O1
Show InChI InChI=1S/C15H17ClF3N3O4/c16-10-1-2-11-12(9-10)26-15(25-11,14(17,18)19)21-13(23)20-3-4-22-5-7-24-8-6-22/h1-2,9H,3-8H2,(H2,20,21,23)
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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
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM32078
PNG
(1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...)
Show SMILES FC(F)(F)C1(NC(=O)NCCN2CCOCC2)Oc2ccc(Cl)cc2O1
Show InChI InChI=1S/C15H17ClF3N3O4/c16-10-1-2-11-12(9-10)26-15(25-11,14(17,18)19)21-13(23)20-3-4-22-5-7-24-8-6-22/h1-2,9H,3-8H2,(H2,20,21,23)
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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
MPI protein


(Homo sapiens (Human))
BDBM32078
PNG
(1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...)
Show SMILES FC(F)(F)C1(NC(=O)NCCN2CCOCC2)Oc2ccc(Cl)cc2O1
Show InChI InChI=1S/C15H17ClF3N3O4/c16-10-1-2-11-12(9-10)26-15(25-11,14(17,18)19)21-13(23)20-3-4-22-5-7-24-8-6-22/h1-2,9H,3-8H2,(H2,20,21,23)
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n/an/a>5.00E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair