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BDBM37827 2-methyl-5-(4-nitrophenyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one::5-{4-nitrophenyl}-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one::MLS000547439::SMR000113532::cid_1051569

SMILES: Cc1[nH]n2c(nc(cc2=O)-c2ccc(cc2)[N+]([O-])=O)c1-c1ccccc1

InChI Key: InChIKey=XISRVALMPPEBHA-UHFFFAOYSA-N

Data: 2 KI  6 IC50  2 EC50

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 10 hits for monomerid = 37827   
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))
BDBM37827
PNG
(2-methyl-5-(4-nitrophenyl)-3-phenyl-1H-pyrazolo[1,...)
Show SMILES Cc1[nH]n2c(nc(cc2=O)-c2ccc(cc2)[N+]([O-])=O)c1-c1ccccc1
Show InChI InChI=1S/C19H14N4O3/c1-12-18(14-5-3-2-4-6-14)19-20-16(11-17(24)22(19)21-12)13-7-9-15(10-8-13)23(25)26/h2-11,21H,1H3
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1.91E+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))
BDBM37827
PNG
(2-methyl-5-(4-nitrophenyl)-3-phenyl-1H-pyrazolo[1,...)
Show SMILES Cc1[nH]n2c(nc(cc2=O)-c2ccc(cc2)[N+]([O-])=O)c1-c1ccccc1
Show InChI InChI=1S/C19H14N4O3/c1-12-18(14-5-3-2-4-6-14)19-20-16(11-17(24)22(19)21-12)13-7-9-15(10-8-13)23(25)26/h2-11,21H,1H3
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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
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM37827
PNG
(2-methyl-5-(4-nitrophenyl)-3-phenyl-1H-pyrazolo[1,...)
Show SMILES Cc1[nH]n2c(nc(cc2=O)-c2ccc(cc2)[N+]([O-])=O)c1-c1ccccc1
Show InChI InChI=1S/C19H14N4O3/c1-12-18(14-5-3-2-4-6-14)19-20-16(11-17(24)22(19)21-12)13-7-9-15(10-8-13)23(25)26/h2-11,21H,1H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z036KJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM37827
PNG
(2-methyl-5-(4-nitrophenyl)-3-phenyl-1H-pyrazolo[1,...)
Show SMILES Cc1[nH]n2c(nc(cc2=O)-c2ccc(cc2)[N+]([O-])=O)c1-c1ccccc1
Show InChI InChI=1S/C19H14N4O3/c1-12-18(14-5-3-2-4-6-14)19-20-16(11-17(24)22(19)21-12)13-7-9-15(10-8-13)23(25)26/h2-11,21H,1H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2N58JS6
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM37827
PNG
(2-methyl-5-(4-nitrophenyl)-3-phenyl-1H-pyrazolo[1,...)
Show SMILES Cc1[nH]n2c(nc(cc2=O)-c2ccc(cc2)[N+]([O-])=O)c1-c1ccccc1
Show InChI InChI=1S/C19H14N4O3/c1-12-18(14-5-3-2-4-6-14)19-20-16(11-17(24)22(19)21-12)13-7-9-15(10-8-13)23(25)26/h2-11,21H,1H3
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n/an/a>6.66E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM37827
PNG
(2-methyl-5-(4-nitrophenyl)-3-phenyl-1H-pyrazolo[1,...)
Show SMILES Cc1[nH]n2c(nc(cc2=O)-c2ccc(cc2)[N+]([O-])=O)c1-c1ccccc1
Show InChI InChI=1S/C19H14N4O3/c1-12-18(14-5-3-2-4-6-14)19-20-16(11-17(24)22(19)21-12)13-7-9-15(10-8-13)23(25)26/h2-11,21H,1H3
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n/an/a 2.35E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM37827
PNG
(2-methyl-5-(4-nitrophenyl)-3-phenyl-1H-pyrazolo[1,...)
Show SMILES Cc1[nH]n2c(nc(cc2=O)-c2ccc(cc2)[N+]([O-])=O)c1-c1ccccc1
Show InChI InChI=1S/C19H14N4O3/c1-12-18(14-5-3-2-4-6-14)19-20-16(11-17(24)22(19)21-12)13-7-9-15(10-8-13)23(25)26/h2-11,21H,1H3
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n/an/a 3.02E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BV7F7H
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM37827
PNG
(2-methyl-5-(4-nitrophenyl)-3-phenyl-1H-pyrazolo[1,...)
Show SMILES Cc1[nH]n2c(nc(cc2=O)-c2ccc(cc2)[N+]([O-])=O)c1-c1ccccc1
Show InChI InChI=1S/C19H14N4O3/c1-12-18(14-5-3-2-4-6-14)19-20-16(11-17(24)22(19)21-12)13-7-9-15(10-8-13)23(25)26/h2-11,21H,1H3
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n/an/a 3.17E+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


(Homo sapiens (Human))
BDBM37827
PNG
(2-methyl-5-(4-nitrophenyl)-3-phenyl-1H-pyrazolo[1,...)
Show SMILES Cc1[nH]n2c(nc(cc2=O)-c2ccc(cc2)[N+]([O-])=O)c1-c1ccccc1
Show InChI InChI=1S/C19H14N4O3/c1-12-18(14-5-3-2-4-6-14)19-20-16(11-17(24)22(19)21-12)13-7-9-15(10-8-13)23(25)26/h2-11,21H,1H3
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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
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM37827
PNG
(2-methyl-5-(4-nitrophenyl)-3-phenyl-1H-pyrazolo[1,...)
Show SMILES Cc1[nH]n2c(nc(cc2=O)-c2ccc(cc2)[N+]([O-])=O)c1-c1ccccc1
Show InChI InChI=1S/C19H14N4O3/c1-12-18(14-5-3-2-4-6-14)19-20-16(11-17(24)22(19)21-12)13-7-9-15(10-8-13)23(25)26/h2-11,21H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair