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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 = 'BDBM50513105'   
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))
BDBM50513105
PNG
(CHEMBL4473444)
Show SMILES COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3cccc(F)c3)c2=O)c1
Show InChI InChI=1S/C22H22FN3O3/c1-14-10-17(11-16-6-4-9-20(12-16)29-3)22(28)26(25-14)15(2)21(27)24-19-8-5-7-18(23)13-19/h4-10,12-13,15H,11H2,1-3H3,(H,24,27)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 7.59E+3n/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))
BDBM50513105
PNG
(CHEMBL4473444)
Show SMILES COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3cccc(F)c3)c2=O)c1
Show InChI InChI=1S/C22H22FN3O3/c1-14-10-17(11-16-6-4-9-20(12-16)29-3)22(28)26(25-14)15(2)21(27)24-19-8-5-7-18(23)13-19/h4-10,12-13,15H,11H2,1-3H3,(H,24,27)
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 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