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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 = 'BDBM50295518'   
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))
BDBM50295518
PNG
(2-[5-(3-Methoxybenzyl)-3-methyl-6-oxo-6H-pyridazin...)
Show SMILES COc1ccc(NC(=O)Cn2nc(C)cc(Cc3cccc(OC)c3)c2=O)cc1
Show InChI InChI=1S/C22H23N3O4/c1-15-11-17(12-16-5-4-6-20(13-16)29-3)22(27)25(24-15)14-21(26)23-18-7-9-19(28-2)10-8-18/h4-11,13H,12,14H2,1-3H3,(H,23,26)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 11n/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPRL1 in human neutrophiles assessed as induction of intracellular calcium flux by FLIPR3 calcium assay


J Med Chem 52: 5044-57 (2010)


Article DOI: 10.1021/jm900592h
BindingDB Entry DOI: 10.7270/Q2WS8T85
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50295518
PNG
(2-[5-(3-Methoxybenzyl)-3-methyl-6-oxo-6H-pyridazin...)
Show SMILES COc1ccc(NC(=O)Cn2nc(C)cc(Cc3cccc(OC)c3)c2=O)cc1
Show InChI InChI=1S/C22H23N3O4/c1-15-11-17(12-16-5-4-6-20(13-16)29-3)22(27)25(24-15)14-21(26)23-18-7-9-19(28-2)10-8-18/h4-11,13H,12,14H2,1-3H3,(H,23,26)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.44E+4n/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPRL1 expressed in human HL60 cells assessed as induction of intracellular calcium flux by FLIPR3 calcium assay


J Med Chem 52: 5044-57 (2010)


Article DOI: 10.1021/jm900592h
BindingDB Entry DOI: 10.7270/Q2WS8T85
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50295518
PNG
(2-[5-(3-Methoxybenzyl)-3-methyl-6-oxo-6H-pyridazin...)
Show SMILES COc1ccc(NC(=O)Cn2nc(C)cc(Cc3cccc(OC)c3)c2=O)cc1
Show InChI InChI=1S/C22H23N3O4/c1-15-11-17(12-16-5-4-6-20(13-16)29-3)22(27)25(24-15)14-21(26)23-18-7-9-19(28-2)10-8-18/h4-11,13H,12,14H2,1-3H3,(H,23,26)
NCI pathway
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 11n/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPRL1 in human neutrophiles by chemotaxis assay


J Med Chem 52: 5044-57 (2010)


Article DOI: 10.1021/jm900592h
BindingDB Entry DOI: 10.7270/Q2WS8T85
More data for this
Ligand-Target Pair