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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'N-formyl peptide receptor 2' and Ligand = 'BDBM50097570'   
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))
BDBM50097570
PNG
(CHEMBL3590074)
Show SMILES COc1ccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccccn2)cc1 |r|
Show InChI InChI=1S/C18H17N3O4/c1-3-25-17(23)13-9-14-15(19-10-13)20(2)18(24)21(16(14)22)11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3
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n/an/an/an/a 490n/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Agonist activity at FPR2 in human PMN assessed as stimulation of Ca2+ influx measured every 5 secs for 240 secs by FLIPR assay in presence of probene...


Bioorg Med Chem 23: 3913-24 (2015)


Article DOI: 10.1016/j.bmc.2014.12.007
BindingDB Entry DOI: 10.7270/Q2MS3VHB
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50097570
PNG
(CHEMBL3590074)
Show SMILES COc1ccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccccn2)cc1 |r|
Show InChI InChI=1S/C18H17N3O4/c1-3-25-17(23)13-9-14-15(19-10-13)20(2)18(24)21(16(14)22)11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3
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PC sid
UniChem

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PubMed
n/an/an/an/a 620n/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Agonist activity at FPR2 in human PMN assessed as stimulation of Ca2+ influx measured every 5 secs for 240 secs by FLIPR assay in absence of probenec...


Bioorg Med Chem 23: 3913-24 (2015)


Article DOI: 10.1016/j.bmc.2014.12.007
BindingDB Entry DOI: 10.7270/Q2MS3VHB
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50097570
PNG
(CHEMBL3590074)
Show SMILES COc1ccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccccn2)cc1 |r|
Show InChI InChI=1S/C18H17N3O4/c1-3-25-17(23)13-9-14-15(19-10-13)20(2)18(24)21(16(14)22)11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 310n/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Agonist activity at human FPR2 transfected in human HL60 cells assessed as stimulation of Ca2+ influx measured every 5 secs for 240 secs by FLIPR ass...


Bioorg Med Chem 23: 3913-24 (2015)


Article DOI: 10.1016/j.bmc.2014.12.007
BindingDB Entry DOI: 10.7270/Q2MS3VHB
More data for this
Ligand-Target Pair