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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'Formyl peptide receptor-related sequence 1'   
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
Formyl peptide receptor-related sequence 1


(Mus musculus)
BDBM50097567
PNG
(CHEMBL3588871)
Show SMILES COc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccc(OC)cn2)cc1
Show InChI InChI=1/C32H37N5O4/c1-40-24-12-10-23(11-13-24)36-31(39)37-28(18-22-19-33-27-9-5-4-8-26(22)27)30(38)35-21-32(16-6-3-7-17-32)29-15-14-25(41-2)20-34-29/h4-5,8-15,19-20,28,33H,3,6-7,16-18,21H2,1-2H3,(H,35,38)(H2,36,37,39)/t28-/s2
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n/an/an/an/a 240n/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
Formyl peptide receptor-related sequence 1


(Mus musculus)
BDBM50097570
PNG
(CHEMBL3590074)
Show SMILES COc1ccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccccn2)cc1
Show InChI InChI=1/C31H35N5O3/c1-39-24-14-12-23(13-15-24)35-30(38)36-27(19-22-20-33-26-10-4-3-9-25(22)26)29(37)34-21-31(16-6-2-7-17-31)28-11-5-8-18-32-28/h3-5,8-15,18,20,27,33H,2,6-7,16-17,19,21H2,1H3,(H,34,37)(H2,35,36,38)/t27-/s2
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n/an/an/an/a 1.00E+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
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
Show InChI InChI=1/C31H34FN5O3/c1-40-24-11-9-23(10-12-24)36-30(39)37-27(17-21-19-34-26-8-4-3-7-25(21)26)29(38)35-20-31(14-5-2-6-15-31)22-13-16-33-28(32)18-22/h3-4,7-13,16,18-19,27,34H,2,5-6,14-15,17,20H2,1H3,(H,35,38)(H2,36,37,39)/t27-/s2
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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
Formyl peptide receptor-related sequence 1


(Mus musculus)
BDBM50097560
PNG
(CHEMBL3590072)
Show SMILES COc1ccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2cccnc2)cc1
Show InChI InChI=1/C31H35N5O3/c1-39-25-13-11-24(12-14-25)35-30(38)36-28(18-22-19-33-27-10-4-3-9-26(22)27)29(37)34-21-31(15-5-2-6-16-31)23-8-7-17-32-20-23/h3-4,7-14,17,19-20,28,33H,2,5-6,15-16,18,21H2,1H3,(H,34,37)(H2,35,36,38)/t28-/s2
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n/an/an/an/a 2.10E+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
Formyl peptide receptor-related sequence 1


(Mus musculus)
BDBM50097564
PNG
(CHEMBL3589948)
Show SMILES COc1ccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccnc(F)c2)cc1
Show InChI InChI=1/C31H34FN5O3/c1-40-24-11-9-23(10-12-24)36-30(39)37-27(17-21-19-34-26-8-4-3-7-25(21)26)29(38)35-20-31(14-5-2-6-15-31)22-13-16-33-28(32)18-22/h3-4,7-13,16,18-19,27,34H,2,5-6,14-15,17,20H2,1H3,(H,35,38)(H2,36,37,39)/t27-/s2
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n/an/an/an/a 2.30E+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
Formyl peptide receptor-related sequence 1


(Mus musculus)
BDBM50097569
PNG
(CHEMBL3590075)
Show SMILES COc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccc(F)cc2)cc1
Show InChI InChI=1/C32H35FN4O3/c1-40-26-15-13-25(14-16-26)36-31(39)37-29(19-22-20-34-28-8-4-3-7-27(22)28)30(38)35-21-32(17-5-2-6-18-32)23-9-11-24(33)12-10-23/h3-4,7-16,20,29,34H,2,5-6,17-19,21H2,1H3,(H,35,38)(H2,36,37,39)/t29-/s2
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n/an/an/an/a 2.30E+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
Formyl peptide receptor-related sequence 1


(Mus musculus)
BDBM50097568
PNG
(CHEMBL3590076)
Show SMILES COc1ccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccc(F)cc2)cc1
Show InChI InChI=1/C32H35FN4O3/c1-40-26-15-13-25(14-16-26)36-31(39)37-29(19-22-20-34-28-8-4-3-7-27(22)28)30(38)35-21-32(17-5-2-6-18-32)23-9-11-24(33)12-10-23/h3-4,7-16,20,29,34H,2,5-6,17-19,21H2,1H3,(H,35,38)(H2,36,37,39)/t29-/s2
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n/an/an/an/a 2.50E+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
Formyl peptide receptor-related sequence 1


(Mus musculus)
BDBM50097563
PNG
(CHEMBL3590069)
Show SMILES COc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccccc2)cc1
Show InChI InChI=1/C32H36N4O3/c1-39-26-16-14-25(15-17-26)35-31(38)36-29(20-23-21-33-28-13-7-6-12-27(23)28)30(37)34-22-32(18-8-3-9-19-32)24-10-4-2-5-11-24/h2,4-7,10-17,21,29,33H,3,8-9,18-20,22H2,1H3,(H,34,37)(H2,35,36,38)/t29-/s2
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n/an/an/an/a 2.50E+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
Formyl peptide receptor-related sequence 1


(Mus musculus)
BDBM50097559
PNG
(CHEMBL3590073)
Show SMILES COc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccccn2)cc1
Show InChI InChI=1/C31H35N5O3/c1-39-24-14-12-23(13-15-24)35-30(38)36-27(19-22-20-33-26-10-4-3-9-25(22)26)29(37)34-21-31(16-6-2-7-17-31)28-11-5-8-18-32-28/h3-5,8-15,18,20,27,33H,2,6-7,16-17,19,21H2,1H3,(H,34,37)(H2,35,36,38)/t27-/s2
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n/an/an/an/a 2.80E+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
Formyl peptide receptor-related sequence 1


(Mus musculus)
BDBM50097562
PNG
(CHEMBL3590070)
Show SMILES COc1ccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2ccccc2)cc1
Show InChI InChI=1/C32H36N4O3/c1-39-26-16-14-25(15-17-26)35-31(38)36-29(20-23-21-33-28-13-7-6-12-27(23)28)30(37)34-22-32(18-8-3-9-19-32)24-10-4-2-5-11-24/h2,4-7,10-17,21,29,33H,3,8-9,18-20,22H2,1H3,(H,34,37)(H2,35,36,38)/t29-/s2
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n/an/an/an/a 3.80E+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
Formyl peptide receptor-related sequence 1


(Mus musculus)
BDBM50097561
PNG
(CHEMBL3590071)
Show SMILES COc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CCCCC2)c2cccnc2)cc1
Show InChI InChI=1/C31H35N5O3/c1-39-25-13-11-24(12-14-25)35-30(38)36-28(18-22-19-33-27-10-4-3-9-26(22)27)29(37)34-21-31(15-5-2-6-16-31)23-8-7-17-32-20-23/h3-4,7-14,17,19-20,28,33H,2,5-6,15-16,18,21H2,1H3,(H,34,37)(H2,35,36,38)/t28-/s2
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n/an/an/an/a 3.90E+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
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
Show InChI InChI=1/C32H37N5O4/c1-40-24-12-10-23(11-13-24)36-31(39)37-28(18-22-19-33-27-9-5-4-8-26(22)27)30(38)35-21-32(16-6-3-7-17-32)29-15-14-25(41-2)20-34-29/h4-5,8-15,19-20,28,33H,3,6-7,16-18,21H2,1-2H3,(H,35,38)(H2,36,37,39)/t28-/s2
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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
Formyl peptide receptor-related sequence 1


(Mus musculus)
BDBM50071956
PNG
(CHEMBL3407845)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(O)=O
Show InChI InChI=1/C27H51N7O10/c1-14(2)9-18(31-26(42)20(12-36)33-22(38)16(29)11-35)24(40)34-21(13-37)25(41)30-17(7-5-6-8-28)23(39)32-19(27(43)44)10-15(3)4/h14-21,35-37H,5-13,28-29H2,1-4H3,(H,30,41)(H,31,42)(H,32,39)(H,33,38)(H,34,40)(H,43,44)/t16-,17-,18-,19-,20-,21-/s2
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n/an/an/an/a 9.00E+3n/an/an/an/a



Sorbonne University

Curated by ChEMBL


Assay Description
Induction of calcium release in mouse FPR2 receptor-expressed HEK cell by cytosolic-free calcium assay


J Med Chem 58: 1089-99 (2015)


Article DOI: 10.1021/jm501018q
BindingDB Entry DOI: 10.7270/Q2CN75KX
More data for this
Ligand-Target Pair
Formyl peptide receptor-related sequence 1


(Mus musculus)
BDBM50050937
PNG
((S)-2-[(S)-2-((S)-2-Formylamino-4-methylsulfanyl-b...)
Show SMILES CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H31N3O5S/c1-14(2)11-17(23-19(26)16(22-13-25)9-10-30-3)20(27)24-18(21(28)29)12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1
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n/an/an/a>300n/an/an/an/an/a



Sorbonne University

Curated by ChEMBL


Assay Description
Binding affinity to mouse FPR2 receptor


J Med Chem 58: 1089-99 (2015)


Article DOI: 10.1021/jm501018q
BindingDB Entry DOI: 10.7270/Q2CN75KX
More data for this
Ligand-Target Pair