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BDBM50295517 2-[5-(3-Methoxybenzyl)-3-methyl-6-oxo-6H-pyridazin-1-yl]-N-4-tolyl-acetamide::CHEMBL539401

SMILES: COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(C)cc3)c2=O)c1

InChI Key: InChIKey=KLJDBJOGHBERCE-UHFFFAOYSA-N

Data: 6 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50295517   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50295517
PNG
(2-[5-(3-Methoxybenzyl)-3-methyl-6-oxo-6H-pyridazin...)
Show SMILES COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(C)cc3)c2=O)c1
Show InChI InChI=1S/C22H23N3O3/c1-15-7-9-19(10-8-15)23-21(26)14-25-22(27)18(11-16(2)24-25)12-17-5-4-6-20(13-17)28-3/h4-11,13H,12,14H2,1-3H3,(H,23,26)
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n/an/an/an/a 7.20E+3n/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPR1 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
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50295517
PNG
(2-[5-(3-Methoxybenzyl)-3-methyl-6-oxo-6H-pyridazin...)
Show SMILES COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(C)cc3)c2=O)c1
Show InChI InChI=1S/C22H23N3O3/c1-15-7-9-19(10-8-15)23-21(26)14-25-22(27)18(11-16(2)24-25)12-17-5-4-6-20(13-17)28-3/h4-11,13H,12,14H2,1-3H3,(H,23,26)
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n/an/an/an/a 16n/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPR1 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))
BDBM50295517
PNG
(2-[5-(3-Methoxybenzyl)-3-methyl-6-oxo-6H-pyridazin...)
Show SMILES COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(C)cc3)c2=O)c1
Show InChI InChI=1S/C22H23N3O3/c1-15-7-9-19(10-8-15)23-21(26)14-25-22(27)18(11-16(2)24-25)12-17-5-4-6-20(13-17)28-3/h4-11,13H,12,14H2,1-3H3,(H,23,26)
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n/an/an/an/a 1.09E+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
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50295517
PNG
(2-[5-(3-Methoxybenzyl)-3-methyl-6-oxo-6H-pyridazin...)
Show SMILES COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(C)cc3)c2=O)c1
Show InChI InChI=1S/C22H23N3O3/c1-15-7-9-19(10-8-15)23-21(26)14-25-22(27)18(11-16(2)24-25)12-17-5-4-6-20(13-17)28-3/h4-11,13H,12,14H2,1-3H3,(H,23,26)
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n/an/an/an/a 16n/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPR1 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
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50295517
PNG
(2-[5-(3-Methoxybenzyl)-3-methyl-6-oxo-6H-pyridazin...)
Show SMILES COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(C)cc3)c2=O)c1
Show InChI InChI=1S/C22H23N3O3/c1-15-7-9-19(10-8-15)23-21(26)14-25-22(27)18(11-16(2)24-25)12-17-5-4-6-20(13-17)28-3/h4-11,13H,12,14H2,1-3H3,(H,23,26)
NCI pathway
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n/an/an/an/a 9n/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
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50295517
PNG
(2-[5-(3-Methoxybenzyl)-3-methyl-6-oxo-6H-pyridazin...)
Show SMILES COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(C)cc3)c2=O)c1
Show InChI InChI=1S/C22H23N3O3/c1-15-7-9-19(10-8-15)23-21(26)14-25-22(27)18(11-16(2)24-25)12-17-5-4-6-20(13-17)28-3/h4-11,13H,12,14H2,1-3H3,(H,23,26)
NCI pathway
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UniProtKB/SwissProt

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PC sid
UniChem
Article
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n/an/an/an/a 9n/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