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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 442.5
BDBM37642
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM37642
PNG
(6-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]carbo...)
Show SMILES OC(=O)C1CC=CCC1C(=O)N1CCN(CC1)c1nc(-c2ccccc2)c2ccccc2n1 |c:5|
Show InChI InChI=1S/C26H26N4O3/c31-24(19-10-4-5-11-20(19)25(32)33)29-14-16-30(17-15-29)26-27-22-13-7-6-12-21(22)23(28-26)18-8-2-1-3-9-18/h1-9,12-13,19-20H,10-11,14-17H2,(H,32,33)
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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))
BDBM37642
PNG
(6-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]carbo...)
Show SMILES OC(=O)C1CC=CCC1C(=O)N1CCN(CC1)c1nc(-c2ccccc2)c2ccccc2n1 |c:5|
Show InChI InChI=1S/C26H26N4O3/c31-24(19-10-4-5-11-20(19)25(32)33)29-14-16-30(17-15-29)26-27-22-13-7-6-12-21(22)23(28-26)18-8-2-1-3-9-18/h1-9,12-13,19-20H,10-11,14-17H2,(H,32,33)
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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


(Homo sapiens (Human))
BDBM37642
PNG
(6-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]carbo...)
Show SMILES OC(=O)C1CC=CCC1C(=O)N1CCN(CC1)c1nc(-c2ccccc2)c2ccccc2n1 |c:5|
Show InChI InChI=1S/C26H26N4O3/c31-24(19-10-4-5-11-20(19)25(32)33)29-14-16-30(17-15-29)26-27-22-13-7-6-12-21(22)23(28-26)18-8-2-1-3-9-18/h1-9,12-13,19-20H,10-11,14-17H2,(H,32,33)
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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))
BDBM37642
PNG
(6-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]carbo...)
Show SMILES OC(=O)C1CC=CCC1C(=O)N1CCN(CC1)c1nc(-c2ccccc2)c2ccccc2n1 |c:5|
Show InChI InChI=1S/C26H26N4O3/c31-24(19-10-4-5-11-20(19)25(32)33)29-14-16-30(17-15-29)26-27-22-13-7-6-12-21(22)23(28-26)18-8-2-1-3-9-18/h1-9,12-13,19-20H,10-11,14-17H2,(H,32,33)
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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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM37642
PNG
(6-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]carbo...)
Show SMILES OC(=O)C1CC=CCC1C(=O)N1CCN(CC1)c1nc(-c2ccccc2)c2ccccc2n1 |c:5|
Show InChI InChI=1S/C26H26N4O3/c31-24(19-10-4-5-11-20(19)25(32)33)29-14-16-30(17-15-29)26-27-22-13-7-6-12-21(22)23(28-26)18-8-2-1-3-9-18/h1-9,12-13,19-20H,10-11,14-17H2,(H,32,33)
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n/an/an/an/a 2.20E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM37642
PNG
(6-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]carbo...)
Show SMILES OC(=O)C1CC=CCC1C(=O)N1CCN(CC1)c1nc(-c2ccccc2)c2ccccc2n1 |c:5|
Show InChI InChI=1S/C26H26N4O3/c31-24(19-10-4-5-11-20(19)25(32)33)29-14-16-30(17-15-29)26-27-22-13-7-6-12-21(22)23(28-26)18-8-2-1-3-9-18/h1-9,12-13,19-20H,10-11,14-17H2,(H,32,33)
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PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2251GM6
More data for this
Ligand-Target Pair