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Patent code US8822460

Compile Data Set for Download or QSAR
Found 15 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
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM130511
PNG
(US8822460, 7 | US8822460, 9)
Show SMILES COC1COCCC1NC1CC2OCCC2(C1)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
Show InChI InChI=1S/C24H31F3N2O4/c1-31-20-14-32-8-5-19(20)28-18-11-21-23(12-18,6-9-33-21)22(30)29-7-4-15-2-3-17(24(25,26)27)10-16(15)13-29/h2-3,10,18-21,28H,4-9,11-14H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations...


US Patent US8822460 (2014)


BindingDB Entry DOI: 10.7270/Q208641R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM130512
PNG
(US8822460, 8)
Show SMILES FC(F)(F)c1ccc2CCN(Cc2c1)C(=O)C12CCOC1CC(C2)NC1CCOCC1
Show InChI InChI=1S/C23H29F3N2O3/c24-23(25,26)17-2-1-15-3-7-28(14-16(15)11-17)21(29)22-6-10-31-20(22)12-19(13-22)27-18-4-8-30-9-5-18/h1-2,11,18-20,27H,3-10,12-14H2
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n/an/a 3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations...


US Patent US8822460 (2014)


BindingDB Entry DOI: 10.7270/Q208641R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM130515
PNG
(US8822460, 11)
Show SMILES CCC1CC2(CC(CC2O1)NC1CCOCC1OC)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
Show InChI InChI=1S/C25H34F3N3O4/c1-3-18-11-24(10-17(9-22(24)35-18)30-20-5-7-34-14-21(20)33-2)23(32)31-6-4-19-15(13-31)8-16(12-29-19)25(26,27)28/h8,12,17-18,20-22,30H,3-7,9-11,13-14H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations...


US Patent US8822460 (2014)


BindingDB Entry DOI: 10.7270/Q208641R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM130505
PNG
(US8822460, 1 | US8822460, 2 | US8822460, 3 | US882...)
Show SMILES COC1COCCC1NC1CC2OCCC2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
Show InChI InChI=1S/C23H30F3N3O4/c1-31-19-13-32-6-3-18(19)28-16-9-20-22(10-16,4-7-33-20)21(30)29-5-2-17-14(12-29)8-15(11-27-17)23(24,25)26/h8,11,16,18-20,28H,2-7,9-10,12-13H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations...


US Patent US8822460 (2014)


BindingDB Entry DOI: 10.7270/Q208641R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM130511
PNG
(US8822460, 7 | US8822460, 9)
Show SMILES COC1COCCC1NC1CC2OCCC2(C1)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
Show InChI InChI=1S/C24H31F3N2O4/c1-31-20-14-32-8-5-19(20)28-18-11-21-23(12-18,6-9-33-21)22(30)29-7-4-15-2-3-17(24(25,26)27)10-16(15)13-29/h2-3,10,18-21,28H,4-9,11-14H2,1H3
PDB

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n/an/a 9n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations...


US Patent US8822460 (2014)


BindingDB Entry DOI: 10.7270/Q208641R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM130505
PNG
(US8822460, 1 | US8822460, 2 | US8822460, 3 | US882...)
Show SMILES COC1COCCC1NC1CC2OCCC2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
Show InChI InChI=1S/C23H30F3N3O4/c1-31-19-13-32-6-3-18(19)28-16-9-20-22(10-16,4-7-33-20)21(30)29-5-2-17-14(12-29)8-15(11-27-17)23(24,25)26/h8,11,16,18-20,28H,2-7,9-10,12-13H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations...


US Patent US8822460 (2014)


BindingDB Entry DOI: 10.7270/Q208641R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM130518
PNG
(US8822460, 16)
Show SMILES COC1COCCC1NC1CC2OC(CC2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C29H34F3N3O4/c1-37-25-17-38-10-8-23(25)34-21-12-26-28(13-21,14-24(39-26)18-5-3-2-4-6-18)27(36)35-9-7-22-19(16-35)11-20(15-33-22)29(30,31)32/h2-6,11,15,21,23-26,34H,7-10,12-14,16-17H2,1H3
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n/an/a 14n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations...


US Patent US8822460 (2014)


BindingDB Entry DOI: 10.7270/Q208641R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM130505
PNG
(US8822460, 1 | US8822460, 2 | US8822460, 3 | US882...)
Show SMILES COC1COCCC1NC1CC2OCCC2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
Show InChI InChI=1S/C23H30F3N3O4/c1-31-19-13-32-6-3-18(19)28-16-9-20-22(10-16,4-7-33-20)21(30)29-5-2-17-14(12-29)8-15(11-27-17)23(24,25)26/h8,11,16,18-20,28H,2-7,9-10,12-13H2,1H3
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n/an/a 16n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations...


US Patent US8822460 (2014)


BindingDB Entry DOI: 10.7270/Q208641R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM130514
PNG
(US8822460, 10)
Show SMILES COC1COCCC1NC1CC2OC(CC2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C26H34F3N3O4/c1-34-22-14-35-7-5-20(22)31-18-9-23-25(10-18,11-21(36-23)15-2-3-15)24(33)32-6-4-19-16(13-32)8-17(12-30-19)26(27,28)29/h8,12,15,18,20-23,31H,2-7,9-11,13-14H2,1H3
PDB

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n/an/a 16n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations...


US Patent US8822460 (2014)


BindingDB Entry DOI: 10.7270/Q208641R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM130517
PNG
(US8822460, 13)
Show SMILES CCCC1CC2(CC(CC2O1)NC1CCOCC1OC)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
Show InChI InChI=1S/C26H36F3N3O4/c1-3-4-19-12-25(11-18(10-23(25)36-19)31-21-6-8-35-15-22(21)34-2)24(33)32-7-5-20-16(14-32)9-17(13-30-20)26(27,28)29/h9,13,18-19,21-23,31H,3-8,10-12,14-15H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations...


US Patent US8822460 (2014)


BindingDB Entry DOI: 10.7270/Q208641R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM130516
PNG
(US8822460, 12)
Show SMILES COC1COCCC1NC1CC2OC(C)CC2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
Show InChI InChI=1S/C24H32F3N3O4/c1-14-9-23(10-17(8-21(23)34-14)29-19-4-6-33-13-20(19)32-2)22(31)30-5-3-18-15(12-30)7-16(11-28-18)24(25,26)27/h7,11,14,17,19-21,29H,3-6,8-10,12-13H2,1-2H3
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n/an/a 24n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations...


US Patent US8822460 (2014)


BindingDB Entry DOI: 10.7270/Q208641R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM130510
PNG
(US8822460, 6)
Show SMILES FC(F)(F)c1cnc2CCN(Cc2c1)C(=O)C12CCOC1CC(C2)NC1CCOCC1
Show InChI InChI=1S/C22H28F3N3O3/c23-22(24,25)15-9-14-13-28(5-1-18(14)26-12-15)20(29)21-4-8-31-19(21)10-17(11-21)27-16-2-6-30-7-3-16/h9,12,16-17,19,27H,1-8,10-11,13H2
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n/an/a 62n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations...


US Patent US8822460 (2014)


BindingDB Entry DOI: 10.7270/Q208641R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM130505
PNG
(US8822460, 1 | US8822460, 2 | US8822460, 3 | US882...)
Show SMILES COC1COCCC1NC1CC2OCCC2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
Show InChI InChI=1S/C23H30F3N3O4/c1-31-19-13-32-6-3-18(19)28-16-9-20-22(10-16,4-7-33-20)21(30)29-5-2-17-14(12-29)8-15(11-27-17)23(24,25)26/h8,11,16,18-20,28H,2-7,9-10,12-13H2,1H3
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n/an/a 93n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations...


US Patent US8822460 (2014)


BindingDB Entry DOI: 10.7270/Q208641R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM130519
PNG
(US8822460, 21)
Show SMILES COC1COCCC1NC1CC2OC(=O)CC2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
Show InChI InChI=1S/C23H28F3N3O5/c1-32-18-12-33-5-3-17(18)28-15-7-19-22(8-15,9-20(30)34-19)21(31)29-4-2-16-13(11-29)6-14(10-27-16)23(24,25)26/h6,10,15,17-19,28H,2-5,7-9,11-12H2,1H3
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n/an/a 120n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations...


US Patent US8822460 (2014)


BindingDB Entry DOI: 10.7270/Q208641R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM130505
PNG
(US8822460, 1 | US8822460, 2 | US8822460, 3 | US882...)
Show SMILES COC1COCCC1NC1CC2OCCC2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
Show InChI InChI=1S/C23H30F3N3O4/c1-31-19-13-32-6-3-18(19)28-16-9-20-22(10-16,4-7-33-20)21(30)29-5-2-17-14(12-29)8-15(11-27-17)23(24,25)26/h8,11,16,18-20,28H,2-7,9-10,12-13H2,1H3
PDB

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n/an/a 170n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations...


US Patent US8822460 (2014)


BindingDB Entry DOI: 10.7270/Q208641R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%