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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'fMet-Leu-Phe receptor' and Ligand = 'BDBM50513087'   
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
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50513087
PNG
(CHEMBL4568124)
Show SMILES Cc1cc(Cc2ccc(F)cc2)c(=O)n(CC(=O)Nc2ccc(Br)cc2[N+]([O-])=O)n1
Show InChI InChI=1S/C20H16BrFN4O4/c1-12-8-14(9-13-2-5-16(22)6-3-13)20(28)25(24-12)11-19(27)23-17-7-4-15(21)10-18(17)26(29)30/h2-8,10H,9,11H2,1H3,(H,23,27)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a<1.00E+5n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Biased agonist activity at human FPR1 expressed in FlpIn-CHO cells assessed as intracellular calcium mobilization by Fluo-4-AM dye based fluorescence...


J Med Chem 62: 5242-5248 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01912
BindingDB Entry DOI: 10.7270/Q2W0998D
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50513087
PNG
(CHEMBL4568124)
Show SMILES Cc1cc(Cc2ccc(F)cc2)c(=O)n(CC(=O)Nc2ccc(Br)cc2[N+]([O-])=O)n1
Show InChI InChI=1S/C20H16BrFN4O4/c1-12-8-14(9-13-2-5-16(22)6-3-13)20(28)25(24-12)11-19(27)23-17-7-4-15(21)10-18(17)26(29)30/h2-8,10H,9,11H2,1H3,(H,23,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a<1.00E+5n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Biased agonist activity at human FPR1 expressed in FlpIn-CHO cells assessed as stimulation of ERK1/2 phosphorylation measured after 7 mins by Alphasc...


J Med Chem 62: 5242-5248 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01912
BindingDB Entry DOI: 10.7270/Q2W0998D
More data for this
Ligand-Target Pair