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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'N-formyl peptide receptor 2' and Ligand = 'BDBM21692'   
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))
BDBM21692
PNG
(1-(4-chlorophenyl)-3-[1-methyl-3-oxo-2-phenyl-5-(p...)
Show SMILES CC(C)c1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H21ClN4O2/c1-13(2)18-17(23-20(27)22-15-11-9-14(21)10-12-15)19(26)25(24(18)3)16-7-5-4-6-8-16/h4-13H,1-3H3,(H2,22,23,27)
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n/an/an/an/a 44n/an/a7.237



Amgen



Assay Description
hFPRL 1 activity was assayed using an aequorin-based bioluminescence assay (Ca2+ flux). EC50 values have been determined by Ca2+ flux in CHO recombin...


Bioorg Med Chem Lett 17: 6633-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.043
BindingDB Entry DOI: 10.7270/Q25H7DJ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM21692
PNG
(1-(4-chlorophenyl)-3-[1-methyl-3-oxo-2-phenyl-5-(p...)
Show SMILES CC(C)c1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H21ClN4O2/c1-13(2)18-17(23-20(27)22-15-11-9-14(21)10-12-15)19(26)25(24(18)3)16-7-5-4-6-8-16/h4-13H,1-3H3,(H2,22,23,27)
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n/an/an/an/a 41n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Biased agonist activity at human FPR2 expressed in FlpIn-CHO cells assessed as stimulation of ERK1/2 phosphorylation measured after 7 mins by Alphasc...


J Med Chem 62: 5242-5248 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01912
BindingDB Entry DOI: 10.7270/Q2W0998D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM21692
PNG
(1-(4-chlorophenyl)-3-[1-methyl-3-oxo-2-phenyl-5-(p...)
Show SMILES CC(C)c1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H21ClN4O2/c1-13(2)18-17(23-20(27)22-15-11-9-14(21)10-12-15)19(26)25(24(18)3)16-7-5-4-6-8-16/h4-13H,1-3H3,(H2,22,23,27)
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n/an/an/an/a 95n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Biased agonist activity at human FPR2 expressed in FlpIn-CHO cells assessed as intracellular calcium mobilization by Fluo-4-AM dye based fluorescence...


J Med Chem 62: 5242-5248 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01912
BindingDB Entry DOI: 10.7270/Q2W0998D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM21692
PNG
(1-(4-chlorophenyl)-3-[1-methyl-3-oxo-2-phenyl-5-(p...)
Show SMILES CC(C)c1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H21ClN4O2/c1-13(2)18-17(23-20(27)22-15-11-9-14(21)10-12-15)19(26)25(24(18)3)16-7-5-4-6-8-16/h4-13H,1-3H3,(H2,22,23,27)
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n/an/an/an/a 44n/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Activity at human FPRL1-mediated calcium mobilization in CHO cells


Bioorg Med Chem Lett 16: 3713-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.068
BindingDB Entry DOI: 10.7270/Q2DF6QTJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)