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BDBM50295521 2-[5-(3-Methoxybenzyl)-3-methyl-6-oxo-6H-pyridazin-1-yl]-N-(4-trifluoromethylphenyl)-acetamide::CHEMBL549570

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

InChI Key: InChIKey=NNOUZGSAIXPSHH-UHFFFAOYSA-N

Data: 6 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50295521   
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


(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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Article
PubMed
n/an/an/an/a 57n/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPR1 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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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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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
fMet-Leu-Phe receptor


(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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n/an/an/an/a 217n/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


(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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n/an/an/an/a 2.17E+4n/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))
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)
PDB

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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