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PubMed code 21486695

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
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
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50418335
PNG
(CHEMBL1770297)
Show SMILES CCOc1ccc2oc(C(=O)NC(CCSC)c3nc4ccccc4[nH]3)c(C)c2c1
Show InChI InChI=1S/C23H25N3O3S/c1-4-28-15-9-10-20-16(13-15)14(2)21(29-20)23(27)26-19(11-12-30-3)22-24-17-7-5-6-8-18(17)25-22/h5-10,13,19H,4,11-12H2,1-3H3,(H,24,25)(H,26,27)
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n/an/a 158n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated degranulation after 15 mins by fluorescence assay


Bioorg Med Chem Lett 21: 2991-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.049
BindingDB Entry DOI: 10.7270/Q2PZ5B2D
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50418334
PNG
(CHEMBL1770298)
Show SMILES Cc1ccc(s1)C(NC(=O)c1ccccc1O)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C22H22N2O3S/c1-13-7-6-8-14(2)19(13)23-22(27)20(18-12-11-15(3)28-18)24-21(26)16-9-4-5-10-17(16)25/h4-12,20,25H,1-3H3,(H,23,27)(H,24,26)
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n/an/a 398n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human FPR1 in expressed in HEK293 cells assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation after 5 m...


Bioorg Med Chem Lett 21: 2991-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.049
BindingDB Entry DOI: 10.7270/Q2PZ5B2D
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50418359
PNG
(CHEMBL1770302)
Show SMILES Cc1cccc(C)c1NC(=O)C(NC(=O)c1ccccc1O)C1CCCCC1
Show InChI InChI=1S/C23H28N2O3/c1-15-9-8-10-16(2)20(15)24-23(28)21(17-11-4-3-5-12-17)25-22(27)18-13-6-7-14-19(18)26/h6-10,13-14,17,21,26H,3-5,11-12H2,1-2H3,(H,24,28)(H,25,27)
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n/an/a 794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Intrinsic activity at FPR1 in human neutrophils assessed as increase in calcium mobilization by FLIPR assay relative to fMLF


Bioorg Med Chem Lett 21: 2991-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.049
BindingDB Entry DOI: 10.7270/Q2PZ5B2D
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50418361
PNG
(CHEMBL1770153)
Show SMILES Cc1cccc(C)c1NC(=O)C(NC(=O)c1ccccc1O)c1ccccc1
Show InChI InChI=1S/C23H22N2O3/c1-15-9-8-10-16(2)20(15)24-23(28)21(17-11-4-3-5-12-17)25-22(27)18-13-6-7-14-19(18)26/h3-14,21,26H,1-2H3,(H,24,28)(H,25,27)
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n/an/a 1.26E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Intrinsic activity at FPR1 in human neutrophils assessed as increase in calcium mobilization by FLIPR assay relative to fMLF


Bioorg Med Chem Lett 21: 2991-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.049
BindingDB Entry DOI: 10.7270/Q2PZ5B2D
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50418360
PNG
(CHEMBL1770301)
Show SMILES Cc1cccc(C)c1NC(=O)C(NC(=O)c1ccccc1O)c1cn(C)cn1
Show InChI InChI=1S/C21H22N4O3/c1-13-7-6-8-14(2)18(13)23-21(28)19(16-11-25(3)12-22-16)24-20(27)15-9-4-5-10-17(15)26/h4-12,19,26H,1-3H3,(H,23,28)(H,24,27)
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n/an/a 1.59E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Intrinsic activity at FPR1 in human neutrophils assessed as increase in calcium mobilization by FLIPR assay relative to fMLF


Bioorg Med Chem Lett 21: 2991-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.049
BindingDB Entry DOI: 10.7270/Q2PZ5B2D
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50418357
PNG
(CHEMBL1770304)
Show SMILES Oc1ccccc1C(=O)NC(C(=O)NC1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2O3/c22-15-12-10-14(11-13-15)19(21(27)23-16-6-2-1-3-7-16)24-20(26)17-8-4-5-9-18(17)25/h4-5,8-13,16,19,25H,1-3,6-7H2,(H,23,27)(H,24,26)
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n/an/a 2.51E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Intrinsic activity at FPR1 in human neutrophils assessed as increase in calcium mobilization by FLIPR assay relative to fMLF


Bioorg Med Chem Lett 21: 2991-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.049
BindingDB Entry DOI: 10.7270/Q2PZ5B2D
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50027800
PNG
(CHEMBL1770296)
Show SMILES CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1/C25H39N3O6S/c1-16(2)14-19(22(30)27-20(23(31)32)15-17-10-8-7-9-11-17)26-21(29)18(12-13-35-6)28-24(33)34-25(3,4)5/h7-11,16,18-20H,12-15H2,1-6H3,(H,26,29)(H,27,30)(H,28,33)(H,31,32)/t18-,19-,20-/s2
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n/an/a 2.51E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at FPR1


Bioorg Med Chem Lett 21: 2991-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.049
BindingDB Entry DOI: 10.7270/Q2PZ5B2D
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50418351
PNG
(CHEMBL1770468)
Show SMILES CSCCC(NC(=O)c1ccccc1O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H19N3O2S/c1-24-11-10-15(17-19-13-7-3-4-8-14(13)20-17)21-18(23)12-6-2-5-9-16(12)22/h2-9,15,22H,10-11H2,1H3,(H,19,20)(H,21,23)
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n/an/a 3.98E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Intrinsic activity at FPR1 in human neutrophils assessed as increase in calcium mobilization by FLIPR assay relative to fMLF


Bioorg Med Chem Lett 21: 2991-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.049
BindingDB Entry DOI: 10.7270/Q2PZ5B2D
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50418352
PNG
(CHEMBL1770466)
Show SMILES CSCCC(NC(=O)c1ccccc1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H19N3OS/c1-23-12-11-16(21-18(22)13-7-3-2-4-8-13)17-19-14-9-5-6-10-15(14)20-17/h2-10,16H,11-12H2,1H3,(H,19,20)(H,21,22)
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n/an/a 5.01E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Intrinsic activity at FPR1 in human neutrophils assessed as increase in calcium mobilization by FLIPR assay relative to fMLF


Bioorg Med Chem Lett 21: 2991-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.049
BindingDB Entry DOI: 10.7270/Q2PZ5B2D
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50418358
PNG
(CHEMBL1770303)
Show SMILES Oc1ccccc1C(=O)NC(C(=O)Nc1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN2O3/c22-15-12-10-14(11-13-15)19(21(27)23-16-6-2-1-3-7-16)24-20(26)17-8-4-5-9-18(17)25/h1-13,19,25H,(H,23,27)(H,24,26)
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n/an/a 5.01E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Intrinsic activity at FPR1 in human neutrophils assessed as increase in calcium mobilization by FLIPR assay relative to fMLF


Bioorg Med Chem Lett 21: 2991-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.049
BindingDB Entry DOI: 10.7270/Q2PZ5B2D
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Mus musculus)
BDBM50418334
PNG
(CHEMBL1770298)
Show SMILES Cc1ccc(s1)C(NC(=O)c1ccccc1O)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C22H22N2O3S/c1-13-7-6-8-14(2)19(13)23-22(27)20(18-12-11-15(3)28-18)24-21(26)16-9-4-5-10-17(16)25/h4-12,20,25H,1-3H3,(H,23,27)(H,24,26)
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n/an/a 2.51E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at mouse FPR1 expressed in HEK293 cells assessed as inhibition of fMLFF-stimulated intracellular calcium mobilisation by FLIPR as...


Bioorg Med Chem Lett 21: 2991-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.049
BindingDB Entry DOI: 10.7270/Q2PZ5B2D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%