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BDBM50295526 CHEMBL564392::N-(4-Bromophenyl)-2-[5-(3-methoxybenzyl)-3-methyl-6-oxo-6H-pyridazin-1-yl]-propionamide

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

InChI Key: InChIKey=IXJJOFFFTXGHHC-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50295526   
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))
BDBM50295526
PNG
(CHEMBL564392 | N-(4-Bromophenyl)-2-[5-(3-methoxybe...)
Show SMILES COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Br)cc3)c2=O)c1
Show InChI InChI=1S/C22H22BrN3O3/c1-14-11-17(12-16-5-4-6-20(13-16)29-3)22(28)26(25-14)15(2)21(27)24-19-9-7-18(23)8-10-19/h4-11,13,15H,12H2,1-3H3,(H,24,27)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 32n/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
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50295526
PNG
(CHEMBL564392 | N-(4-Bromophenyl)-2-[5-(3-methoxybe...)
Show SMILES COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Br)cc3)c2=O)c1
Show InChI InChI=1S/C22H22BrN3O3/c1-14-11-17(12-16-5-4-6-20(13-16)29-3)22(28)26(25-14)15(2)21(27)24-19-9-7-18(23)8-10-19/h4-11,13,15H,12H2,1-3H3,(H,24,27)
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 800n/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))
BDBM50295526
PNG
(CHEMBL564392 | N-(4-Bromophenyl)-2-[5-(3-methoxybe...)
Show SMILES COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Br)cc3)c2=O)c1
Show InChI InChI=1S/C22H22BrN3O3/c1-14-11-17(12-16-5-4-6-20(13-16)29-3)22(28)26(25-14)15(2)21(27)24-19-9-7-18(23)8-10-19/h4-11,13,15H,12H2,1-3H3,(H,24,27)
NCI pathway
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 600n/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))
BDBM50295526
PNG
(CHEMBL564392 | N-(4-Bromophenyl)-2-[5-(3-methoxybe...)
Show SMILES COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Br)cc3)c2=O)c1
Show InChI InChI=1S/C22H22BrN3O3/c1-14-11-17(12-16-5-4-6-20(13-16)29-3)22(28)26(25-14)15(2)21(27)24-19-9-7-18(23)8-10-19/h4-11,13,15H,12H2,1-3H3,(H,24,27)
NCI pathway
Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6n/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
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50295526
PNG
(CHEMBL564392 | N-(4-Bromophenyl)-2-[5-(3-methoxybe...)
Show SMILES COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Br)cc3)c2=O)c1
Show InChI InChI=1S/C22H22BrN3O3/c1-14-11-17(12-16-5-4-6-20(13-16)29-3)22(28)26(25-14)15(2)21(27)24-19-9-7-18(23)8-10-19/h4-11,13,15H,12H2,1-3H3,(H,24,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8n/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