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BDBM50097565 CHEMBL3589947

SMILES: COc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccnc(F)c2)cc1

InChI Key: InChIKey=IWQPJAADIUVKSH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50097565   
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
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50097565
PNG
(CHEMBL3589947)
Show SMILES COc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccnc(F)c2)cc1 |r|
Show InChI InChI=1S/C19H21N3O3/c1-3-4-12-25-15-10-11-20-17-16(15)18(23)22(19(24)21(17)2)13-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3
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Article
PubMed
n/an/an/an/a 660n/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Agonist activity at FPR2 in human PMN assessed as stimulation of Ca2+ influx measured every 5 secs for 240 secs by FLIPR assay in presence of probene...


Bioorg Med Chem 23: 3913-24 (2015)


Article DOI: 10.1016/j.bmc.2014.12.007
BindingDB Entry DOI: 10.7270/Q2MS3VHB
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50097565
PNG
(CHEMBL3589947)
Show SMILES COc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccnc(F)c2)cc1 |r|
Show InChI InChI=1S/C19H21N3O3/c1-3-4-12-25-15-10-11-20-17-16(15)18(23)22(19(24)21(17)2)13-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3
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Article
PubMed
n/an/an/an/a 1.26E+4n/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Agonist activity at FPR2 in human PMN assessed as stimulation of Ca2+ influx measured every 5 secs for 240 secs by FLIPR assay in absence of probenec...


Bioorg Med Chem 23: 3913-24 (2015)


Article DOI: 10.1016/j.bmc.2014.12.007
BindingDB Entry DOI: 10.7270/Q2MS3VHB
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50097565
PNG
(CHEMBL3589947)
Show SMILES COc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccnc(F)c2)cc1 |r|
Show InChI InChI=1S/C19H21N3O3/c1-3-4-12-25-15-10-11-20-17-16(15)18(23)22(19(24)21(17)2)13-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3
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Article
PubMed
n/an/an/an/a 1.60E+3n/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Agonist activity at human FPR2 transfected in human HL60 cells assessed as stimulation of Ca2+ influx measured every 5 secs for 240 secs by FLIPR ass...


Bioorg Med Chem 23: 3913-24 (2015)


Article DOI: 10.1016/j.bmc.2014.12.007
BindingDB Entry DOI: 10.7270/Q2MS3VHB
More data for this
Ligand-Target Pair
Formyl peptide receptor-related sequence 1


(Mus musculus)
BDBM50097565
PNG
(CHEMBL3589947)
Show SMILES COc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccnc(F)c2)cc1 |r|
Show InChI InChI=1S/C19H21N3O3/c1-3-4-12-25-15-10-11-20-17-16(15)18(23)22(19(24)21(17)2)13-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3
UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/an/an/a 1.70E+3n/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Agonist activity at FPR2 in BALB/c mouse assessed as stimulation of Ca2+ influx measured every 5 secs for 240 secs by FLIPR assay


Bioorg Med Chem 23: 3913-24 (2015)


Article DOI: 10.1016/j.bmc.2014.12.007
BindingDB Entry DOI: 10.7270/Q2MS3VHB
More data for this
Ligand-Target Pair