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BDBM50295520 CHEMBL556485::N-Benzo[1,3]dioxol-5-yl-2-[5-(3-methoxybenzyl)-3-methyl-6-oxo-6H-pyridazin-1-yl]-acetamide

SMILES: COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc4OCOc4c3)c2=O)c1

InChI Key: InChIKey=QMOREXFVRNUFEF-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 = 50295520   
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)
BDBM50295520
PNG
(CHEMBL556485 | N-Benzo[1,3]dioxol-5-yl-2-[5-(3-met...)
Show SMILES COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc4OCOc4c3)c2=O)c1
Show InChI InChI=1S/C22H21N3O5/c1-14-8-16(9-15-4-3-5-18(10-15)28-2)22(27)25(24-14)12-21(26)23-17-6-7-19-20(11-17)30-13-29-19/h3-8,10-11H,9,12-13H2,1-2H3,(H,23,26)
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PubMed
n/an/an/an/a 2.30E+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)

More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50295520
PNG
(CHEMBL556485 | N-Benzo[1,3]dioxol-5-yl-2-[5-(3-met...)
Show SMILES COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc4OCOc4c3)c2=O)c1
Show InChI InChI=1S/C22H21N3O5/c1-14-8-16(9-15-4-3-5-18(10-15)28-2)22(27)25(24-14)12-21(26)23-17-6-7-19-20(11-17)30-13-29-19/h3-8,10-11H,9,12-13H2,1-2H3,(H,23,26)
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Article
PubMed
n/an/an/an/a 36n/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)

More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (human))
BDBM50295520
PNG
(CHEMBL556485 | N-Benzo[1,3]dioxol-5-yl-2-[5-(3-met...)
Show SMILES COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc4OCOc4c3)c2=O)c1
Show InChI InChI=1S/C22H21N3O5/c1-14-8-16(9-15-4-3-5-18(10-15)28-2)22(27)25(24-14)12-21(26)23-17-6-7-19-20(11-17)30-13-29-19/h3-8,10-11H,9,12-13H2,1-2H3,(H,23,26)
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PubMed
n/an/an/an/a 4.50E+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)

More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (human))
BDBM50295520
PNG
(CHEMBL556485 | N-Benzo[1,3]dioxol-5-yl-2-[5-(3-met...)
Show SMILES COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc4OCOc4c3)c2=O)c1
Show InChI InChI=1S/C22H21N3O5/c1-14-8-16(9-15-4-3-5-18(10-15)28-2)22(27)25(24-14)12-21(26)23-17-6-7-19-20(11-17)30-13-29-19/h3-8,10-11H,9,12-13H2,1-2H3,(H,23,26)
NCI pathway
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PubMed
n/an/an/an/a 45n/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)

More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM50295520
PNG
(CHEMBL556485 | N-Benzo[1,3]dioxol-5-yl-2-[5-(3-met...)
Show SMILES COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc4OCOc4c3)c2=O)c1
Show InChI InChI=1S/C22H21N3O5/c1-14-8-16(9-15-4-3-5-18(10-15)28-2)22(27)25(24-14)12-21(26)23-17-6-7-19-20(11-17)30-13-29-19/h3-8,10-11H,9,12-13H2,1-2H3,(H,23,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 36n/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)

More data for this
Ligand-Target Pair