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BDBM50097566 CHEMBL3589946

SMILES: COc1ccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccc(OC)cn2)cc1

InChI Key: InChIKey=JSGVQSYTPKHXMK-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 = 50097566   
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))
BDBM50097566
PNG
(CHEMBL3589946)
Show SMILES COc1ccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccc(OC)cn2)cc1 |r|
Show InChI InChI=1S/C19H21N3O3/c1-3-9-25-13-15-10-16-17(20-11-15)21(2)19(24)22(18(16)23)12-14-7-5-4-6-8-14/h4-8,10-11H,3,9,12-13H2,1-2H3
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 880n/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))
BDBM50097566
PNG
(CHEMBL3589946)
Show SMILES COc1ccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccc(OC)cn2)cc1 |r|
Show InChI InChI=1S/C19H21N3O3/c1-3-9-25-13-15-10-16-17(20-11-15)21(2)19(24)22(18(16)23)12-14-7-5-4-6-8-14/h4-8,10-11H,3,9,12-13H2,1-2H3
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PC sid
UniChem
Article
PubMed
n/an/an/an/a 920n/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
Formyl peptide receptor-related sequence 1


(Mus musculus)
BDBM50097566
PNG
(CHEMBL3589946)
Show SMILES COc1ccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccc(OC)cn2)cc1 |r|
Show InChI InChI=1S/C19H21N3O3/c1-3-9-25-13-15-10-16-17(20-11-15)21(2)19(24)22(18(16)23)12-14-7-5-4-6-8-14/h4-8,10-11H,3,9,12-13H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.90E+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
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50097566
PNG
(CHEMBL3589946)
Show SMILES COc1ccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccc(OC)cn2)cc1 |r|
Show InChI InChI=1S/C19H21N3O3/c1-3-9-25-13-15-10-16-17(20-11-15)21(2)19(24)22(18(16)23)12-14-7-5-4-6-8-14/h4-8,10-11H,3,9,12-13H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 230n/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