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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 = 'BDBM50295521'   
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))
BDBM50295521
PNG
(2-[5-(3-Methoxybenzyl)-3-methyl-6-oxo-6H-pyridazin...)
Show SMILES COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(cc3)C(F)(F)F)c2=O)c1
Show InChI InChI=1S/C22H20F3N3O3/c1-14-10-16(11-15-4-3-5-19(12-15)31-2)21(30)28(27-14)13-20(29)26-18-8-6-17(7-9-18)22(23,24)25/h3-10,12H,11,13H2,1-2H3,(H,26,29)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 88n/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))
BDBM50295521
PNG
(2-[5-(3-Methoxybenzyl)-3-methyl-6-oxo-6H-pyridazin...)
Show SMILES COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(cc3)C(F)(F)F)c2=O)c1
Show InChI InChI=1S/C22H20F3N3O3/c1-14-10-16(11-15-4-3-5-19(12-15)31-2)21(30)28(27-14)13-20(29)26-18-8-6-17(7-9-18)22(23,24)25/h3-10,12H,11,13H2,1-2H3,(H,26,29)
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PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.90E+3n/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))
BDBM50295521
PNG
(2-[5-(3-Methoxybenzyl)-3-methyl-6-oxo-6H-pyridazin...)
Show SMILES COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(cc3)C(F)(F)F)c2=O)c1
Show InChI InChI=1S/C22H20F3N3O3/c1-14-10-16(11-15-4-3-5-19(12-15)31-2)21(30)28(27-14)13-20(29)26-18-8-6-17(7-9-18)22(23,24)25/h3-10,12H,11,13H2,1-2H3,(H,26,29)
NCI pathway
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KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 19n/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