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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'N-formyl peptide receptor 2' and Ligand = 'BDBM50520820'   
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))
BDBM50520820
PNG
(CHEMBL4551559)
Show SMILES CCC[C@@H](O)c1c(\C=C\[C@@H](O)[C@@H](O)CCCC(=O)OC)nc(C)n1C |r|
Show InChI InChI=1S/C18H30N2O5/c1-5-7-16(23)18-13(19-12(2)20(18)3)10-11-15(22)14(21)8-6-9-17(24)25-4/h10-11,14-16,21-23H,5-9H2,1-4H3/b11-10+/t14-,15+,16+/m0/s1
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PubMed
n/an/a 3.40n/an/an/an/an/an/a



University College Dublin

Curated by ChEMBL


Assay Description
Agonist activity at ALX/FPR2 in human THP1 cells harboring NF-kB-Luc assessed as inhibition of LPS-induced NFkB signalling activation by measuring re...


Eur J Med Chem 162: 80-108 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.049
BindingDB Entry DOI: 10.7270/Q2PV6PS9
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50520820
PNG
(CHEMBL4551559)
Show SMILES CCC[C@@H](O)c1c(\C=C\[C@@H](O)[C@@H](O)CCCC(=O)OC)nc(C)n1C |r|
Show InChI InChI=1S/C18H30N2O5/c1-5-7-16(23)18-13(19-12(2)20(18)3)10-11-15(22)14(21)8-6-9-17(24)25-4/h10-11,14-16,21-23H,5-9H2,1-4H3/b11-10+/t14-,15+,16+/m0/s1
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UniChem
Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



University College Dublin

Curated by ChEMBL


Assay Description
Agonist activity at ALX/FPR2 in human THP1 cells harboring NF-kB-Luc assessed as inhibition of LPS-induced NFkB signalling activation by measuring re...


Eur J Med Chem 162: 80-108 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.049
BindingDB Entry DOI: 10.7270/Q2PV6PS9
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50520820
PNG
(CHEMBL4551559)
Show SMILES CCC[C@@H](O)c1c(\C=C\[C@@H](O)[C@@H](O)CCCC(=O)OC)nc(C)n1C |r|
Show InChI InChI=1S/C18H30N2O5/c1-5-7-16(23)18-13(19-12(2)20(18)3)10-11-15(22)14(21)8-6-9-17(24)25-4/h10-11,14-16,21-23H,5-9H2,1-4H3/b11-10+/t14-,15+,16+/m0/s1
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UniChem
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n/an/a 4.30n/an/an/an/an/an/a



University College Dublin

Curated by ChEMBL


Assay Description
Agonist activity at ALX/FPR2 in human THP1 cells harboring NF-kB-Luc assessed as inhibition of LPS-induced NFkB signalling activation by measuring re...


Eur J Med Chem 162: 80-108 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.049
BindingDB Entry DOI: 10.7270/Q2PV6PS9
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50520820
PNG
(CHEMBL4551559)
Show SMILES CCC[C@@H](O)c1c(\C=C\[C@@H](O)[C@@H](O)CCCC(=O)OC)nc(C)n1C |r|
Show InChI InChI=1S/C18H30N2O5/c1-5-7-16(23)18-13(19-12(2)20(18)3)10-11-15(22)14(21)8-6-9-17(24)25-4/h10-11,14-16,21-23H,5-9H2,1-4H3/b11-10+/t14-,15+,16+/m0/s1
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UniChem
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n/an/a 4.80n/an/an/an/an/an/a



University College Dublin

Curated by ChEMBL


Assay Description
Agonist activity at ALX/FPR2 in human THP1 cells harboring NF-kB-Luc assessed as inhibition of LPS-induced NFkB signalling activation by measuring re...


Eur J Med Chem 162: 80-108 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.049
BindingDB Entry DOI: 10.7270/Q2PV6PS9
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50520820
PNG
(CHEMBL4551559)
Show SMILES CCC[C@@H](O)c1c(\C=C\[C@@H](O)[C@@H](O)CCCC(=O)OC)nc(C)n1C |r|
Show InChI InChI=1S/C18H30N2O5/c1-5-7-16(23)18-13(19-12(2)20(18)3)10-11-15(22)14(21)8-6-9-17(24)25-4/h10-11,14-16,21-23H,5-9H2,1-4H3/b11-10+/t14-,15+,16+/m0/s1
PDB

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PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



University College Dublin

Curated by ChEMBL


Assay Description
Agonist activity at ALX/FPR2 in human THP1 cells harboring NF-kB-Luc assessed as inhibition of LPS-induced NFkB signalling activation pretreated for ...


Eur J Med Chem 162: 80-108 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.049
BindingDB Entry DOI: 10.7270/Q2PV6PS9
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50520820
PNG
(CHEMBL4551559)
Show SMILES CCC[C@@H](O)c1c(\C=C\[C@@H](O)[C@@H](O)CCCC(=O)OC)nc(C)n1C |r|
Show InChI InChI=1S/C18H30N2O5/c1-5-7-16(23)18-13(19-12(2)20(18)3)10-11-15(22)14(21)8-6-9-17(24)25-4/h10-11,14-16,21-23H,5-9H2,1-4H3/b11-10+/t14-,15+,16+/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 56n/an/an/an/an/an/a



University College Dublin

Curated by ChEMBL


Assay Description
Agonist activity at ALX/FPR2 in human THP1 cells harboring NF-kB-Luc assessed as inhibition of LPS-induced NFkB signalling activation by measuring re...


Eur J Med Chem 162: 80-108 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.049
BindingDB Entry DOI: 10.7270/Q2PV6PS9
More data for this
Ligand-Target Pair