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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 = 'BDBM50513081'   
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))
BDBM50513081
PNG
(CHEMBL4556579)
Show SMILES CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(cc(Cc2ccccc2OC)c1=O)C(F)(F)F
Show InChI InChI=1S/C25H25ClF3N3O3/c1-3-4-8-20(23(33)30-19-12-10-18(26)11-13-19)32-24(34)17(15-22(31-32)25(27,28)29)14-16-7-5-6-9-21(16)35-2/h5-7,9-13,15,20H,3-4,8,14H2,1-2H3,(H,30,33)
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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 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
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50513081
PNG
(CHEMBL4556579)
Show SMILES CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(cc(Cc2ccccc2OC)c1=O)C(F)(F)F
Show InChI InChI=1S/C25H25ClF3N3O3/c1-3-4-8-20(23(33)30-19-12-10-18(26)11-13-19)32-24(34)17(15-22(31-32)25(27,28)29)14-16-7-5-6-9-21(16)35-2/h5-7,9-13,15,20H,3-4,8,14H2,1-2H3,(H,30,33)
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 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