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Compile Data Set for Download or QSAR

Found 15 hits of ec50 data for complexid = 50003736   
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
Guanine nucleotide-binding protein subunit alpha-15 [Y147C]/N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM230851
PNG
(US9346793, 2)
Show SMILES Cc1nc(C(=O)Nc2cnn(Cc3nc(co3)C3(O)CC3)n2)c(o1)-c1cccc(C)c1
Show InChI InChI=1S/C21H20N6O4/c1-12-4-3-5-14(8-12)19-18(23-13(2)31-19)20(28)25-16-9-22-27(26-16)10-17-24-15(11-30-17)21(29)6-7-21/h3-5,8-9,11,29H,6-7,10H2,1-2H3,(H,25,26,28)
PDB

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n/an/an/an/a 7.60n/an/an/an/a



Actelion Pharmaceuticals, LTD.

US Patent


Assay Description
Cells expressing recombinant human ALX receptor and the G-protein Gα16 (HEK293-hALXR-Gα16) were grown to 80% confluency in Growing Medium (...


US Patent US9346793 (2016)


BindingDB Entry DOI: 10.7270/Q29K493V
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-15 [Y147C]/N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM230852
PNG
(US9346793, 3)
Show SMILES CC(C)(O)c1coc(Cn2ncc(NC(=O)c3ncoc3-c3ccccc3)n2)n1
Show InChI InChI=1S/C19H18N6O4/c1-19(2,27)13-10-28-15(22-13)9-25-21-8-14(24-25)23-18(26)16-17(29-11-20-16)12-6-4-3-5-7-12/h3-8,10-11,27H,9H2,1-2H3,(H,23,24,26)
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n/an/an/an/a 8n/an/an/an/a



Actelion Pharmaceuticals, LTD.

US Patent


Assay Description
Cells expressing recombinant human ALX receptor and the G-protein Gα16 (HEK293-hALXR-Gα16) were grown to 80% confluency in Growing Medium (...


US Patent US9346793 (2016)


BindingDB Entry DOI: 10.7270/Q29K493V
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-15 [Y147C]/N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM230856
PNG
(US9346793, 7)
Show SMILES Cc1nc(C(=O)Nc2cnn(Cc3nc(co3)C(C)(C)O)n2)c(o1)-c1cccc(Cl)c1
Show InChI InChI=1S/C20H19ClN6O4/c1-11-23-17(18(31-11)12-5-4-6-13(21)7-12)19(28)25-15-8-22-27(26-15)9-16-24-14(10-30-16)20(2,3)29/h4-8,10,29H,9H2,1-3H3,(H,25,26,28)
PDB

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n/an/an/an/a 10.1n/an/an/an/a



Actelion Pharmaceuticals, LTD.

US Patent


Assay Description
Cells expressing recombinant human ALX receptor and the G-protein Gα16 (HEK293-hALXR-Gα16) were grown to 80% confluency in Growing Medium (...


US Patent US9346793 (2016)


BindingDB Entry DOI: 10.7270/Q29K493V
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-15 [Y147C]/N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM230859
PNG
(US9346793, 10)
Show SMILES Cc1nc(C(=O)Nc2cnn(Cc3nc(co3)C(C)(C)O)n2)c(o1)-c1ccccc1
Show InChI InChI=1S/C20H20N6O4/c1-12-22-17(18(30-12)13-7-5-4-6-8-13)19(27)24-15-9-21-26(25-15)10-16-23-14(11-29-16)20(2,3)28/h4-9,11,28H,10H2,1-3H3,(H,24,25,27)
PDB

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n/an/an/an/a 10.3n/an/an/an/a



Actelion Pharmaceuticals, LTD.

US Patent


Assay Description
Cells expressing recombinant human ALX receptor and the G-protein Gα16 (HEK293-hALXR-Gα16) were grown to 80% confluency in Growing Medium (...


US Patent US9346793 (2016)


BindingDB Entry DOI: 10.7270/Q29K493V
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-15 [Y147C]/N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM230863
PNG
(US9346793, 14)
Show SMILES Cc1cccc(c1)-c1ocnc1C(=O)Nc1cnn(Cc2nc(co2)C(C)(C)O)n1
Show InChI InChI=1S/C20H20N6O4/c1-12-5-4-6-13(7-12)18-17(21-11-30-18)19(27)24-15-8-22-26(25-15)9-16-23-14(10-29-16)20(2,3)28/h4-8,10-11,28H,9H2,1-3H3,(H,24,25,27)
PDB

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n/an/an/an/a 11.3n/an/an/an/a



Actelion Pharmaceuticals, LTD.

US Patent


Assay Description
Cells expressing recombinant human ALX receptor and the G-protein Gα16 (HEK293-hALXR-Gα16) were grown to 80% confluency in Growing Medium (...


US Patent US9346793 (2016)


BindingDB Entry DOI: 10.7270/Q29K493V
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-15 [Y147C]/N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM230850
PNG
(US9346793, 1)
Show SMILES Cc1nc(C(=O)Nc2cnn(Cc3nc(co3)C(C)(C)O)n2)c(o1)-c1cccc(C)c1
Show InChI InChI=1S/C21H22N6O4/c1-12-6-5-7-14(8-12)19-18(23-13(2)31-19)20(28)25-16-9-22-27(26-16)10-17-24-15(11-30-17)21(3,4)29/h5-9,11,29H,10H2,1-4H3,(H,25,26,28)
PDB

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n/an/an/an/a 11.8n/an/an/an/a



Actelion Pharmaceuticals, LTD.

US Patent


Assay Description
Cells expressing recombinant human ALX receptor and the G-protein Gα16 (HEK293-hALXR-Gα16) were grown to 80% confluency in Growing Medium (...


US Patent US9346793 (2016)


BindingDB Entry DOI: 10.7270/Q29K493V
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-15 [Y147C]/N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM230855
PNG
(US9346793, 6)
Show SMILES COc1cccc(c1)-c1oc(C)nc1C(=O)Nc1cnn(Cc2nc(co2)C(C)(C)O)n1
Show InChI InChI=1S/C21H22N6O5/c1-12-23-18(19(32-12)13-6-5-7-14(8-13)30-4)20(28)25-16-9-22-27(26-16)10-17-24-15(11-31-17)21(2,3)29/h5-9,11,29H,10H2,1-4H3,(H,25,26,28)
PDB

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n/an/an/an/a 12.7n/an/an/an/a



Actelion Pharmaceuticals, LTD.

US Patent


Assay Description
Cells expressing recombinant human ALX receptor and the G-protein Gα16 (HEK293-hALXR-Gα16) were grown to 80% confluency in Growing Medium (...


US Patent US9346793 (2016)


BindingDB Entry DOI: 10.7270/Q29K493V
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-15 [Y147C]/N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM230862
PNG
(US9346793, 13)
Show SMILES Cc1nc(C(=O)Nc2cnn(Cc3nc(co3)C(C)(C)O)n2)c(o1)-c1cccc(F)c1
Show InChI InChI=1S/C20H19FN6O4/c1-11-23-17(18(31-11)12-5-4-6-13(21)7-12)19(28)25-15-8-22-27(26-15)9-16-24-14(10-30-16)20(2,3)29/h4-8,10,29H,9H2,1-3H3,(H,25,26,28)
PDB

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n/an/an/an/a 13.2n/an/an/an/a



Actelion Pharmaceuticals, LTD.

US Patent


Assay Description
Cells expressing recombinant human ALX receptor and the G-protein Gα16 (HEK293-hALXR-Gα16) were grown to 80% confluency in Growing Medium (...


US Patent US9346793 (2016)


BindingDB Entry DOI: 10.7270/Q29K493V
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-15 [Y147C]/N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM230858
PNG
(US9346793, 9)
Show SMILES COc1cccc(c1)-c1ocnc1C(=O)Nc1cnn(Cc2nc(co2)C(C)(C)O)n1
Show InChI InChI=1S/C20H20N6O5/c1-20(2,28)14-10-30-16(23-14)9-26-22-8-15(25-26)24-19(27)17-18(31-11-21-17)12-5-4-6-13(7-12)29-3/h4-8,10-11,28H,9H2,1-3H3,(H,24,25,27)
PDB

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n/an/an/an/a 17.2n/an/an/an/a



Actelion Pharmaceuticals, LTD.

US Patent


Assay Description
Cells expressing recombinant human ALX receptor and the G-protein Gα16 (HEK293-hALXR-Gα16) were grown to 80% confluency in Growing Medium (...


US Patent US9346793 (2016)


BindingDB Entry DOI: 10.7270/Q29K493V
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-15 [Y147C]/N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM230857
PNG
(US9346793, 8)
Show SMILES CC(C)(O)c1coc(Cn2ncc(NC(=O)c3ncoc3-c3cccc(Cl)c3)n2)n1
Show InChI InChI=1S/C19H17ClN6O4/c1-19(2,28)13-9-29-15(23-13)8-26-22-7-14(25-26)24-18(27)16-17(30-10-21-16)11-4-3-5-12(20)6-11/h3-7,9-10,28H,8H2,1-2H3,(H,24,25,27)
PDB

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n/an/an/an/a 17.8n/an/an/an/a



Actelion Pharmaceuticals, LTD.

US Patent


Assay Description
Cells expressing recombinant human ALX receptor and the G-protein Gα16 (HEK293-hALXR-Gα16) were grown to 80% confluency in Growing Medium (...


US Patent US9346793 (2016)


BindingDB Entry DOI: 10.7270/Q29K493V
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-15 [Y147C]/N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM230854
PNG
(US9346793, 5)
Show SMILES Cc1nc(C(=O)Nc2cnn(Cc3nc(co3)C(C)(C)O)n2)c(o1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H19F3N6O4/c1-11-26-17(18(34-11)12-5-4-6-13(7-12)21(22,23)24)19(31)28-15-8-25-30(29-15)9-16-27-14(10-33-16)20(2,3)32/h4-8,10,32H,9H2,1-3H3,(H,28,29,31)
PDB

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n/an/an/an/a 21.7n/an/an/an/a



Actelion Pharmaceuticals, LTD.

US Patent


Assay Description
Cells expressing recombinant human ALX receptor and the G-protein Gα16 (HEK293-hALXR-Gα16) were grown to 80% confluency in Growing Medium (...


US Patent US9346793 (2016)


BindingDB Entry DOI: 10.7270/Q29K493V
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-15 [Y147C]/N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM230861
PNG
(US9346793, 12)
Show SMILES Cc1nc(C(=O)Nc2cnn(Cc3nc(co3)C(C)(C)O)n2)c(o1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C21H19F3N6O5/c1-11-26-17(18(34-11)12-5-4-6-13(7-12)35-21(22,23)24)19(31)28-15-8-25-30(29-15)9-16-27-14(10-33-16)20(2,3)32/h4-8,10,32H,9H2,1-3H3,(H,28,29,31)
PDB

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n/an/an/an/a 32.3n/an/an/an/a



Actelion Pharmaceuticals, LTD.

US Patent


Assay Description
Cells expressing recombinant human ALX receptor and the G-protein Gα16 (HEK293-hALXR-Gα16) were grown to 80% confluency in Growing Medium (...


US Patent US9346793 (2016)


BindingDB Entry DOI: 10.7270/Q29K493V
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-15 [Y147C]/N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM230853
PNG
(US9346793, 4)
Show SMILES CC(C)(O)c1coc(Cn2ncc(NC(=O)c3ncoc3-c3ccc(F)cc3)n2)n1
Show InChI InChI=1S/C19H17FN6O4/c1-19(2,28)13-9-29-15(23-13)8-26-22-7-14(25-26)24-18(27)16-17(30-10-21-16)11-3-5-12(20)6-4-11/h3-7,9-10,28H,8H2,1-2H3,(H,24,25,27)
PDB

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n/an/an/an/a 51n/an/an/an/a



Actelion Pharmaceuticals, LTD.

US Patent


Assay Description
Cells expressing recombinant human ALX receptor and the G-protein Gα16 (HEK293-hALXR-Gα16) were grown to 80% confluency in Growing Medium (...


US Patent US9346793 (2016)


BindingDB Entry DOI: 10.7270/Q29K493V
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-15 [Y147C]/N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM230864
PNG
(US9346793, 15)
Show SMILES Cc1cccc(c1)-c1oc(nc1C(=O)Nc1cnn(Cc2nc(co2)C(C)(C)O)n1)C1CC1
Show InChI InChI=1S/C23H24N6O4/c1-13-5-4-6-15(9-13)20-19(27-22(33-20)14-7-8-14)21(30)26-17-10-24-29(28-17)11-18-25-16(12-32-18)23(2,3)31/h4-6,9-10,12,14,31H,7-8,11H2,1-3H3,(H,26,28,30)
PDB

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n/an/an/an/a 52.9n/an/an/an/a



Actelion Pharmaceuticals, LTD.

US Patent


Assay Description
Cells expressing recombinant human ALX receptor and the G-protein Gα16 (HEK293-hALXR-Gα16) were grown to 80% confluency in Growing Medium (...


US Patent US9346793 (2016)


BindingDB Entry DOI: 10.7270/Q29K493V
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-15 [Y147C]/N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM230860
PNG
(US9346793, 11)
Show SMILES CC(C)(O)c1coc(Cn2ncc(NC(=O)c3ncsc3-c3cccc(F)c3)n2)n1
Show InChI InChI=1S/C19H17FN6O3S/c1-19(2,28)13-9-29-15(23-13)8-26-22-7-14(25-26)24-18(27)16-17(30-10-21-16)11-4-3-5-12(20)6-11/h3-7,9-10,28H,8H2,1-2H3,(H,24,25,27)
PDB

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n/an/an/an/a 82.3n/an/an/an/a



Actelion Pharmaceuticals, LTD.

US Patent


Assay Description
Cells expressing recombinant human ALX receptor and the G-protein Gα16 (HEK293-hALXR-Gα16) were grown to 80% confluency in Growing Medium (...


US Patent US9346793 (2016)


BindingDB Entry DOI: 10.7270/Q29K493V
More data for this
Ligand-Target Pair