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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'N-formyl peptide receptor 2/fMet-Leu-Phe receptor'   
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
N-formyl peptide receptor 2/fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50490560
PNG
(CHEMBL2336646)
Show SMILES CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C22H31N3O5S/c1-14(2)11-18(24-19(27)17(23-13-26)9-10-31-3)20(28)25-22(21(29)30)12-16(22)15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)(H,29,30)/t16-,17+,18+,22-/m1/s1
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n/an/an/an/a 250n/an/an/an/a



Saga University

Curated by ChEMBL


Assay Description
Agonist activity at FPR1/FPR2 receptor in human neutrophils assessed as induction of superoxide radical generation by spectrophotometric analysis


Bioorg Med Chem 21: 668-75 (2013)


Article DOI: 10.1016/j.bmc.2012.11.046
BindingDB Entry DOI: 10.7270/Q2K64N1S
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2/fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50490561
PNG
(CHEMBL2336648)
Show SMILES COC(=O)[C@@]1(C[C@H]1c1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC=O |r|
Show InChI InChI=1S/C23H33N3O5S/c1-15(2)12-19(25-20(28)18(24-14-27)10-11-32-4)21(29)26-23(22(30)31-3)13-17(23)16-8-6-5-7-9-16/h5-9,14-15,17-19H,10-13H2,1-4H3,(H,24,27)(H,25,28)(H,26,29)/t17-,18-,19-,23-/m0/s1
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n/an/an/an/a 21n/an/an/an/a



Saga University

Curated by ChEMBL


Assay Description
Agonist activity at FPR1/FPR2 receptor in human neutrophils assessed as induction of chemotaxis after 60 mins


Bioorg Med Chem 21: 668-75 (2013)


Article DOI: 10.1016/j.bmc.2012.11.046
BindingDB Entry DOI: 10.7270/Q2K64N1S
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2/fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50490562
PNG
(CHEBI:5158 | CHEMBL285518)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC=O |r|
Show InChI InChI=1S/C22H33N3O5S/c1-15(2)12-18(24-20(27)17(23-14-26)10-11-31-4)21(28)25-19(22(29)30-3)13-16-8-6-5-7-9-16/h5-9,14-15,17-19H,10-13H2,1-4H3,(H,23,26)(H,24,27)(H,25,28)/t17-,18-,19-/m0/s1
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n/an/an/an/a 2.5n/an/an/an/a



Saga University

Curated by ChEMBL


Assay Description
Agonist activity at FPR1/FPR2 receptor in human neutrophils assessed as induction of chemotaxis after 60 mins


Bioorg Med Chem 21: 668-75 (2013)


Article DOI: 10.1016/j.bmc.2012.11.046
BindingDB Entry DOI: 10.7270/Q2K64N1S
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2/fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50490560
PNG
(CHEMBL2336646)
Show SMILES CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C22H31N3O5S/c1-14(2)11-18(24-19(27)17(23-13-26)9-10-31-3)20(28)25-22(21(29)30)12-16(22)15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)(H,29,30)/t16-,17+,18+,22-/m1/s1
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n/an/an/an/a 9.10n/an/an/an/a



Saga University

Curated by ChEMBL


Assay Description
Agonist activity at FPR1/FPR2 receptor in human neutrophils assessed as induction of chemotaxis after 60 mins


Bioorg Med Chem 21: 668-75 (2013)


Article DOI: 10.1016/j.bmc.2012.11.046
BindingDB Entry DOI: 10.7270/Q2K64N1S
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2/fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50490563
PNG
(CHEMBL2336649)
Show SMILES COC(=O)[C@@]1(C[C@@H]1c1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC=O |r|
Show InChI InChI=1S/C23H33N3O5S/c1-15(2)12-19(25-20(28)18(24-14-27)10-11-32-4)21(29)26-23(22(30)31-3)13-17(23)16-8-6-5-7-9-16/h5-9,14-15,17-19H,10-13H2,1-4H3,(H,24,27)(H,25,28)(H,26,29)/t17-,18+,19+,23+/m1/s1
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n/an/an/an/a 14n/an/an/an/a



Saga University

Curated by ChEMBL


Assay Description
Agonist activity at FPR1/FPR2 receptor in human neutrophils assessed as induction of chemotaxis after 60 mins


Bioorg Med Chem 21: 668-75 (2013)


Article DOI: 10.1016/j.bmc.2012.11.046
BindingDB Entry DOI: 10.7270/Q2K64N1S
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2/fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50490564
PNG
(CHEMBL2336647)
Show SMILES COC(=O)[C@]1(C[C@H]1c1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC=O |r|
Show InChI InChI=1S/C23H33N3O5S/c1-15(2)12-19(25-20(28)18(24-14-27)10-11-32-4)21(29)26-23(22(30)31-3)13-17(23)16-8-6-5-7-9-16/h5-9,14-15,17-19H,10-13H2,1-4H3,(H,24,27)(H,25,28)(H,26,29)/t17-,18-,19-,23+/m0/s1
PDB

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KEGG
PC cid
PC sid
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n/an/an/an/a 4.70n/an/an/an/a



Saga University

Curated by ChEMBL


Assay Description
Agonist activity at FPR1/FPR2 receptor in human neutrophils assessed as induction of chemotaxis after 60 mins


Bioorg Med Chem 21: 668-75 (2013)


Article DOI: 10.1016/j.bmc.2012.11.046
BindingDB Entry DOI: 10.7270/Q2K64N1S
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2/fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50490562
PNG
(CHEBI:5158 | CHEMBL285518)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC=O |r|
Show InChI InChI=1S/C22H33N3O5S/c1-15(2)12-18(24-20(27)17(23-14-26)10-11-31-4)21(28)25-19(22(29)30-3)13-16-8-6-5-7-9-16/h5-9,14-15,17-19H,10-13H2,1-4H3,(H,23,26)(H,24,27)(H,25,28)/t17-,18-,19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 16n/an/an/an/a



Saga University

Curated by ChEMBL


Assay Description
Agonist activity at FPR1/FPR2 receptor in human neutrophils assessed as induction of superoxide radical generation by spectrophotometric analysis


Bioorg Med Chem 21: 668-75 (2013)


Article DOI: 10.1016/j.bmc.2012.11.046
BindingDB Entry DOI: 10.7270/Q2K64N1S
More data for this
Ligand-Target Pair