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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50046183   
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


(Homo sapiens (Human))
BDBM50098047
PNG
(CHEMBL3590214)
Show SMILES COc1ccc2[nH]c(SCC(=O)Nc3ccccc3Cl)nc2c1
Show InChI InChI=1S/C16H14ClN3O2S/c1-22-10-6-7-13-14(8-10)20-16(19-13)23-9-15(21)18-12-5-3-2-4-11(12)17/h2-8H,9H2,1H3,(H,18,21)(H,19,20)
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n/an/an/an/a 1.00E+4n/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Agonist activity against human FPR2 expressed in human HL60 cells by Fluo-4AM dye based intracellular Ca2+ mobilization assay


Bioorg Med Chem 23: 4072-81 (2015)


Article DOI: 10.1016/j.bmc.2015.03.062
BindingDB Entry DOI: 10.7270/Q2KD20PR
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50098184
PNG
(AG-26 | CHEMBL1289260)
Show SMILES COc1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H32N2O/c1-14(2)17-11-16(13-21-7-9-22-10-8-21)12-18(15(3)4)19(17)20(5)6/h11-12,14-15H,7-10,13H2,1-6H3
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n/an/an/an/a 400n/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Agonist activity against human FPR2 expressed in human HL60 cells by Fluo-4AM dye based intracellular Ca2+ mobilization assay


Bioorg Med Chem 23: 4072-81 (2015)


Article DOI: 10.1016/j.bmc.2015.03.062
BindingDB Entry DOI: 10.7270/Q2KD20PR
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50098055
PNG
(CHEMBL3590213)
Show SMILES CCOc1ccc2[nH]c(SCC(=O)Nc3ccccc3SC)nc2c1
Show InChI InChI=1S/C18H19N3O2S2/c1-3-23-12-8-9-13-15(10-12)21-18(20-13)25-11-17(22)19-14-6-4-5-7-16(14)24-2/h4-10H,3,11H2,1-2H3,(H,19,22)(H,20,21)
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n/an/an/an/a 8.00E+3n/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Agonist activity against human FPR2 expressed in human HL60 cells by Fluo-4AM dye based intracellular Ca2+ mobilization assay


Bioorg Med Chem 23: 4072-81 (2015)


Article DOI: 10.1016/j.bmc.2015.03.062
BindingDB Entry DOI: 10.7270/Q2KD20PR
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50098056
PNG
(CHEMBL3590212)
Show SMILES COC(=O)Nc1cccc(NC(=O)CSc2nc3cc(OC)ccc3[nH]2)c1
Show InChI InChI=1S/C18H18N4O4S/c1-25-13-6-7-14-15(9-13)22-17(21-14)27-10-16(23)19-11-4-3-5-12(8-11)20-18(24)26-2/h3-9H,10H2,1-2H3,(H,19,23)(H,20,24)(H,21,22)
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n/an/an/an/a 7.30E+3n/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Agonist activity against human FPR2 expressed in human HL60 cells by Fluo-4AM dye based intracellular Ca2+ mobilization assay


Bioorg Med Chem 23: 4072-81 (2015)


Article DOI: 10.1016/j.bmc.2015.03.062
BindingDB Entry DOI: 10.7270/Q2KD20PR
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50098058
PNG
(CHEMBL3590211)
Show SMILES CCc1ccc(NC(=O)CSc2nc3cc(OC)ccc3[nH]2)cc1
Show InChI InChI=1S/C18H19N3O2S/c1-3-12-4-6-13(7-5-12)19-17(22)11-24-18-20-15-9-8-14(23-2)10-16(15)21-18/h4-10H,3,11H2,1-2H3,(H,19,22)(H,20,21)
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n/an/an/an/a 3.20E+3n/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Agonist activity against human FPR2 expressed in human HL60 cells by Fluo-4AM dye based intracellular Ca2+ mobilization assay


Bioorg Med Chem 23: 4072-81 (2015)


Article DOI: 10.1016/j.bmc.2015.03.062
BindingDB Entry DOI: 10.7270/Q2KD20PR
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50098059
PNG
(CHEMBL3590210)
Show SMILES COc1ccc2[nH]c(SCC(=O)Nc3ccc(cc3)C(C)=O)nc2c1
Show InChI InChI=1S/C18H17N3O3S/c1-11(22)12-3-5-13(6-4-12)19-17(23)10-25-18-20-15-8-7-14(24-2)9-16(15)21-18/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21)
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n/an/an/an/a 6.00E+3n/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Agonist activity against human FPR2 expressed in human HL60 cells by Fluo-4AM dye based intracellular Ca2+ mobilization assay


Bioorg Med Chem 23: 4072-81 (2015)


Article DOI: 10.1016/j.bmc.2015.03.062
BindingDB Entry DOI: 10.7270/Q2KD20PR
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50098060
PNG
(CHEMBL3590209)
Show SMILES COc1ccc2[nH]c(SCC(=O)Nc3ccccc3Br)nc2c1
Show InChI InChI=1S/C16H14BrN3O2S/c1-22-10-6-7-13-14(8-10)20-16(19-13)23-9-15(21)18-12-5-3-2-4-11(12)17/h2-8H,9H2,1H3,(H,18,21)(H,19,20)
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n/an/an/an/a 4.03E+3n/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Agonist activity against human FPR2 expressed in human HL60 cells by Fluo-4AM dye based intracellular Ca2+ mobilization assay


Bioorg Med Chem 23: 4072-81 (2015)


Article DOI: 10.1016/j.bmc.2015.03.062
BindingDB Entry DOI: 10.7270/Q2KD20PR
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50098111
PNG
(CHEMBL3590208)
Show SMILES Brc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCc3ccccc23)cc1 |r|
Show InChI InChI=1S/C18H23NO5S/c1-18-7-6-13-12(14(18)4-5-16(18)21)3-2-10-8-11(20)9-15(17(10)13)24-25(19,22)23/h8-9,12-14,20H,2-7H2,1H3,(H2,19,22,23)/t12?,13-,14-,18?/m0/s1
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n/an/an/an/a 250n/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Agonist activity against human FPR2 expressed in human HL60 cells by Fluo-4AM dye based intracellular Ca2+ mobilization assay


Bioorg Med Chem 23: 4072-81 (2015)


Article DOI: 10.1016/j.bmc.2015.03.062
BindingDB Entry DOI: 10.7270/Q2KD20PR
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50098172
PNG
(CHEMBL3590207)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C19H30N2O2/c1-13(2)17-10-16(12-21-6-8-23-9-7-21)11-18(14(3)4)19(17)20-15(5)22/h10-11,13-14H,6-9,12H2,1-5H3,(H,20,22)
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n/an/an/an/a 160n/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Agonist activity against human FPR2 expressed in human HL60 cells by Fluo-4AM dye based intracellular Ca2+ mobilization assay


Bioorg Med Chem 23: 4072-81 (2015)


Article DOI: 10.1016/j.bmc.2015.03.062
BindingDB Entry DOI: 10.7270/Q2KD20PR
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50098173
PNG
(CHEMBL3590206)
Show SMILES CCOC(=O)C1CCCN(C1)C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C17H28N2O/c1-12(2)15-9-14(10-16(13(3)4)17(15)18)11-19-5-7-20-8-6-19/h9-10,12-13H,5-8,11,18H2,1-4H3
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n/an/an/an/a 7n/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Agonist activity against human FPR2 expressed in human HL60 cells by Fluo-4AM dye based intracellular Ca2+ mobilization assay


Bioorg Med Chem 23: 4072-81 (2015)


Article DOI: 10.1016/j.bmc.2015.03.062
BindingDB Entry DOI: 10.7270/Q2KD20PR
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50098174
PNG
(CHEMBL3588929)
Show SMILES Brc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)NN2CCCCNC2=O)cc1 |r|
Show InChI InChI=1S/C18H29NO2/c1-13(2)16-11-15(12-17(14(3)4)18(16)20)5-6-19-7-9-21-10-8-19/h11-14,20H,5-10H2,1-4H3
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n/an/an/an/a 4n/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Agonist activity against human FPR2 expressed in human HL60 cells by Fluo-4AM dye based intracellular Ca2+ mobilization assay


Bioorg Med Chem 23: 4072-81 (2015)


Article DOI: 10.1016/j.bmc.2015.03.062
BindingDB Entry DOI: 10.7270/Q2KD20PR
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50098175
PNG
(CHEMBL3588928)
Show SMILES CSc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)cc1 |r|
Show InChI InChI=1S/C17H28N2S/c1-12(2)15-9-14(10-16(13(3)4)17(15)18)11-19-5-7-20-8-6-19/h9-10,12-13H,5-8,11,18H2,1-4H3
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n/an/an/an/a 300n/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Agonist activity against human FPR2 expressed in human HL60 cells by Fluo-4AM dye based intracellular Ca2+ mobilization assay


Bioorg Med Chem 23: 4072-81 (2015)


Article DOI: 10.1016/j.bmc.2015.03.062
BindingDB Entry DOI: 10.7270/Q2KD20PR
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50098176
PNG
(CHEMBL3588927)
Show SMILES Clc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)cc1 |r|
Show InChI InChI=1S/C17H27NO/c1-13(2)16-9-15(10-17(11-16)14(3)4)12-18-5-7-19-8-6-18/h9-11,13-14H,5-8,12H2,1-4H3
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n/an/an/an/a 50n/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Agonist activity against human FPR2 expressed in human HL60 cells by Fluo-4AM dye based intracellular Ca2+ mobilization assay


Bioorg Med Chem 23: 4072-81 (2015)


Article DOI: 10.1016/j.bmc.2015.03.062
BindingDB Entry DOI: 10.7270/Q2KD20PR
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50098177
PNG
(CHEMBL3588926)
Show SMILES Brc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)cc1 |r|
Show InChI InChI=1S/C19H30N2O2/c1-13(2)17-10-16(11-18(14(3)4)19(17)23)12-20-6-8-21(9-7-20)15(5)22/h10-11,13-14,23H,6-9,12H2,1-5H3
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n/an/an/an/a 40n/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Agonist activity against human FPR2 expressed in human HL60 cells by Fluo-4AM dye based intracellular Ca2+ mobilization assay


Bioorg Med Chem 23: 4072-81 (2015)


Article DOI: 10.1016/j.bmc.2015.03.062
BindingDB Entry DOI: 10.7270/Q2KD20PR
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50098178
PNG
(CHEMBL3588925)
Show SMILES Brc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 |r|
Show InChI InChI=1S/C21H29NO/c1-15(2)19-11-18(12-20(16(3)4)21(19)23)14-22(5)13-17-9-7-6-8-10-17/h6-12,15-16,23H,13-14H2,1-5H3
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n/an/an/an/a 140n/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Agonist activity against human FPR2 expressed in human HL60 cells by Fluo-4AM dye based intracellular Ca2+ mobilization assay


Bioorg Med Chem 23: 4072-81 (2015)


Article DOI: 10.1016/j.bmc.2015.03.062
BindingDB Entry DOI: 10.7270/Q2KD20PR
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50098179
PNG
(CHEMBL3588924)
Show SMILES CNOC(=O)C1CCN(CC1C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C18H27NO2S/c1-12(2)15-9-14(10-16(13(3)4)18(15)21)17(20)11-19-5-7-22-8-6-19/h9-10,12-13,21H,5-8,11H2,1-4H3
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n/an/an/an/a 300n/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Agonist activity against human FPR2 expressed in human HL60 cells by Fluo-4AM dye based intracellular Ca2+ mobilization assay


Bioorg Med Chem 23: 4072-81 (2015)


Article DOI: 10.1016/j.bmc.2015.03.062
BindingDB Entry DOI: 10.7270/Q2KD20PR
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50098180
PNG
(CHEMBL3588923)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C17H27NO2/c1-12(2)15-9-14(10-16(13(3)4)17(15)19)11-18-5-7-20-8-6-18/h9-10,12-13,19H,5-8,11H2,1-4H3
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n/an/an/an/a 130n/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Agonist activity against human FPR2 expressed in human HL60 cells by Fluo-4AM dye based intracellular Ca2+ mobilization assay


Bioorg Med Chem 23: 4072-81 (2015)


Article DOI: 10.1016/j.bmc.2015.03.062
BindingDB Entry DOI: 10.7270/Q2KD20PR
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50098181
PNG
(CHEMBL1289381)
Show SMILES COc1ccc(CCNC(=O)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C21H33NO3/c1-6-25-21(24)17-7-9-22(10-8-17)13-16-11-18(14(2)3)20(23)19(12-16)15(4)5/h11-12,14-15,17,23H,6-10,13H2,1-5H3
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n/an/an/an/a 100n/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Agonist activity against human FPR2 expressed in human HL60 cells by Fluo-4AM dye based intracellular Ca2+ mobilization assay


Bioorg Med Chem 23: 4072-81 (2015)


Article DOI: 10.1016/j.bmc.2015.03.062
BindingDB Entry DOI: 10.7270/Q2KD20PR
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50098182
PNG
(CHEMBL1289379)
Show SMILES COc1ccc(CCNC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H30N2O/c1-13(2)16-10-15(12-20-6-8-21-9-7-20)11-17(14(3)4)18(16)19-5/h10-11,13-14,19H,6-9,12H2,1-5H3
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n/an/an/an/a 900n/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Agonist activity against human FPR2 expressed in human HL60 cells by Fluo-4AM dye based intracellular Ca2+ mobilization assay


Bioorg Med Chem 23: 4072-81 (2015)


Article DOI: 10.1016/j.bmc.2015.03.062
BindingDB Entry DOI: 10.7270/Q2KD20PR
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50098183
PNG
(CHEMBL1288648)
Show SMILES COc1ccc(CCNC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C17H27NOS/c1-12(2)15-9-14(10-16(13(3)4)17(15)19)11-18-5-7-20-8-6-18/h9-10,12-13,19H,5-8,11H2,1-4H3
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n/an/an/an/a 3.00E+3n/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Agonist activity against human FPR2 expressed in human HL60 cells by Fluo-4AM dye based intracellular Ca2+ mobilization assay


Bioorg Med Chem 23: 4072-81 (2015)


Article DOI: 10.1016/j.bmc.2015.03.062
BindingDB Entry DOI: 10.7270/Q2KD20PR
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50098048
PNG
(CHEMBL1290698)
Show SMILES COc1ccc2[nH]c(SCC(=O)Nc3ccc(OC)c(OC)c3)nc2c1
Show InChI InChI=1S/C18H19N3O4S/c1-23-12-5-6-13-14(9-12)21-18(20-13)26-10-17(22)19-11-4-7-15(24-2)16(8-11)25-3/h4-9H,10H2,1-3H3,(H,19,22)(H,20,21)
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Article
PubMed
n/an/an/an/a 4.70E+3n/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Agonist activity against human FPR2 expressed in human HL60 cells by Fluo-4AM dye based intracellular Ca2+ mobilization assay


Bioorg Med Chem 23: 4072-81 (2015)


Article DOI: 10.1016/j.bmc.2015.03.062
BindingDB Entry DOI: 10.7270/Q2KD20PR
More data for this
Ligand-Target Pair