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Patent code US9314468

Compile Data Set for Download or QSAR
Found 140 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-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221760
PNG
(US9314468, Table 7, Compound 47)
Show SMILES CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12
Show InChI InChI=1S/C31H39N5O2/c1-31(2,3)38-28(37)21-36-26-13-5-4-12-23(26)24-15-18-33-25(30(24)36)20-35(19-7-6-16-32)27-14-8-10-22-11-9-17-34-29(22)27/h4-5,9,11-13,15,17-18,27H,6-8,10,14,16,19-21,32H2,1-3H3/t27-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221860
PNG
(US9314468, Table 7, Compound 147)
Show SMILES C(CN(Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12)[C@H]1CCCc2cccnc12)CN1CCNCC1
Show InChI InChI=1S/C35H46N6O/c1-2-9-32-29(8-1)30-11-16-37-31(35(30)41(32)21-12-27-13-24-42-25-14-27)26-40(20-5-19-39-22-17-36-18-23-39)33-10-3-6-28-7-4-15-38-34(28)33/h1-2,4,7-9,11,15-16,27,33,36H,3,5-6,10,12-14,17-26H2/t33-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221834
PNG
(US9314468, Table 7, Compound 121)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNC(=O)C3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C32H41N7O/c33-14-3-4-19-38(29-12-5-8-24-9-6-15-36-31(24)29)22-27-32-26(13-16-34-27)25-10-1-2-11-28(25)39(32)20-7-18-37-21-17-35-30(40)23-37/h1-2,6,9-11,13,15-16,29H,3-5,7-8,12,14,17-23,33H2,(H,35,40)/t29-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221857
PNG
(US9314468, Table 7, Compound 144)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC3CC3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C29H35N5/c30-15-3-4-18-33(27-11-5-7-22-8-6-16-32-28(22)27)20-25-29-24(14-17-31-25)23-9-1-2-10-26(23)34(29)19-21-12-13-21/h1-2,6,8-10,14,16-17,21,27H,3-5,7,11-13,15,18-20,30H2/t27-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221796
PNG
(US9314468, Table 7, Compound 83)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C31H40N6O/c32-13-3-4-16-36(29-11-5-7-24-8-6-14-34-30(24)29)23-27-31-26(12-15-33-27)25-9-1-2-10-28(25)37(31)18-17-35-19-21-38-22-20-35/h1-2,6,8-10,12,14-15,29H,3-5,7,11,13,16-23,32H2/t29-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221854
PNG
(US9314468, Table 7, Compound 141)
Show SMILES NCCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12
Show InChI InChI=1S/C31H41N7/c32-13-5-20-38-28-10-2-1-9-25(28)26-12-15-34-27(31(26)38)23-37(19-6-18-36-21-16-33-17-22-36)29-11-3-7-24-8-4-14-35-30(24)29/h1-2,4,8-10,12,14-15,29,33H,3,5-7,11,13,16-23,32H2/t29-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221864
PNG
(US9314468, Table 8, Compound 2)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC#C)c12)C1CCCc2cccnc12
Show InChI InChI=1S/C28H31N5/c1-2-18-33-25-12-4-3-11-22(25)23-14-17-30-24(28(23)33)20-32(19-6-5-15-29)26-13-7-9-21-10-8-16-31-27(21)26/h1,3-4,8,10-12,14,16-17,26H,5-7,9,13,15,18-20,29H2
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Altiris Therapeutics, Inc.

US Patent


Assay Description
This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change o...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221865
PNG
(US9314468, Table 8, Compound 3)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)C1CCCc2cccnc12
Show InChI InChI=1S/C31H38N6O2/c32-13-3-4-16-36(28-11-5-7-23-8-6-14-34-30(23)28)21-26-31-25(12-15-33-26)24-9-1-2-10-27(24)37(31)22-29(38)35-17-19-39-20-18-35/h1-2,6,8-10,12,14-15,28H,3-5,7,11,13,16-22,32H2
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Altiris Therapeutics, Inc.

US Patent


Assay Description
This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change o...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221863
PNG
(US9314468, Table 8, Compound 1)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCNCC3)c12)C1CCCc2cccnc12
Show InChI InChI=1S/C31H41N7/c32-13-3-4-18-37(29-11-5-7-24-8-6-14-35-30(24)29)23-27-31-26(12-15-34-27)25-9-1-2-10-28(25)38(31)22-21-36-19-16-33-17-20-36/h1-2,6,8-10,12,14-15,29,33H,3-5,7,11,13,16-23,32H2
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Altiris Therapeutics, Inc.

US Patent


Assay Description
This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change o...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221866
PNG
(US9314468, Table 8, Compound 4)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)C1CCCc2cccnc12
Show InChI InChI=1S/C27H32N6O/c28-13-3-4-16-32(24-11-5-7-19-8-6-14-31-26(19)24)17-22-27-21(12-15-30-22)20-9-1-2-10-23(20)33(27)18-25(29)34/h1-2,6,8-10,12,14-15,24H,3-5,7,11,13,16-18,28H2,(H2,29,34)
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Altiris Therapeutics, Inc.

US Patent


Assay Description
This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change o...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221808
PNG
(US9314468, Table 7, Compound 95 | US9314468, Table...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C28H36N6/c29-14-3-4-18-33(26-12-5-8-21-9-6-16-32-27(21)26)20-24-28-23(13-17-31-24)22-10-1-2-11-25(22)34(28)19-7-15-30/h1-2,6,9-11,13,16-17,26H,3-5,7-8,12,14-15,18-20,29-30H2/t26-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221867
PNG
(US9314468, Table 8, Compound 5)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCCN)c12)C1CCCc2cccnc12
Show InChI InChI=1S/C28H36N6/c29-14-3-4-18-33(26-12-5-8-21-9-6-16-32-27(21)26)20-24-28-23(13-17-31-24)22-10-1-2-11-25(22)34(28)19-7-15-30/h1-2,6,9-11,13,16-17,26H,3-5,7-8,12,14-15,18-20,29-30H2
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Altiris Therapeutics, Inc.

US Patent


Assay Description
This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change o...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221868
PNG
(US9314468, Table 8, Compound 6)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)C1CCCc2cccnc12
Show InChI InChI=1S/C31H40N6O/c32-13-3-4-16-36(29-11-5-7-24-8-6-14-34-30(24)29)23-27-31-26(12-15-33-27)25-9-1-2-10-28(25)37(31)18-17-35-19-21-38-22-20-35/h1-2,6,8-10,12,14-15,29H,3-5,7,11,13,16-23,32H2
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Altiris Therapeutics, Inc.

US Patent


Assay Description
This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change o...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221869
PNG
(US9314468, Table 8, Compound 7)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)[I]=O)c12)C1CCCc2cccnc12
Show InChI InChI=1S/C27H30IN5O2/c29-13-3-4-16-32(24-11-5-7-19-8-6-14-31-26(19)24)17-22-27-21(12-15-30-22)20-9-1-2-10-23(20)33(27)18-25(34)28-35/h1-2,6,8-10,12,14-15,24H,3-5,7,11,13,16-18,29H2
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Altiris Therapeutics, Inc.

US Patent


Assay Description
This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change o...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221870
PNG
(US9314468, Table 8, Compound 8)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)C1CCCc2cccnc12
Show InChI InChI=1S/C32H43N7/c33-14-3-4-20-38(30-12-5-8-25-9-6-15-36-31(25)30)24-28-32-27(13-16-35-28)26-10-1-2-11-29(26)39(32)21-7-19-37-22-17-34-18-23-37/h1-2,6,9-11,13,15-16,30,34H,3-5,7-8,12,14,17-24,33H2
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Altiris Therapeutics, Inc.

US Patent


Assay Description
This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change o...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221853
PNG
(US9314468, Table 7, Compound 140)
Show SMILES NC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12
Show InChI InChI=1S/C30H37N7O/c31-28(38)21-37-26-9-2-1-8-23(26)24-11-13-33-25(30(24)37)20-36(17-5-16-35-18-14-32-15-19-35)27-10-3-6-22-7-4-12-34-29(22)27/h1-2,4,7-9,11-13,27,32H,3,5-6,10,14-21H2,(H2,31,38)/t27-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221793
PNG
(US9314468, Table 7, Compound 80)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC#C)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C28H31N5/c1-2-18-33-25-12-4-3-11-22(25)23-14-17-30-24(28(23)33)20-32(19-6-5-15-29)26-13-7-9-21-10-8-16-31-27(21)26/h1,3-4,8,10-12,14,16-17,26H,5-7,9,13,15,18-20,29H2/t26-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221871
PNG
(US9314468, Table 8, Compound 9 | US9314468, Table ...)
Show SMILES C(CN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)C1CCCc2cccnc12)CN1CCNCC1
Show InChI InChI=1S/C34H45N7O/c1-2-9-31-28(8-1)29-11-13-36-30(34(29)41(31)21-20-39-22-24-42-25-23-39)26-40(17-5-16-38-18-14-35-15-19-38)32-10-3-6-27-7-4-12-37-33(27)32/h1-2,4,7-9,11-13,32,35H,3,5-6,10,14-26H2
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n/an/a 9.30n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change o...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221872
PNG
(US9314468, Table 8, Compound 10)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)C3CCCc4cccnc34)c12
Show InChI InChI=1S/C33H42N6O2/c1-23-19-38(20-24(2)41-23)31(40)22-39-29-12-4-3-11-26(29)27-14-17-35-28(33(27)39)21-37(18-6-5-15-34)30-13-7-9-25-10-8-16-36-32(25)30/h3-4,8,10-12,14,16-17,23-24,30H,5-7,9,13,15,18-22,34H2,1-2H3/t23-,24+,30?
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n/an/a 9.90n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change o...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221738
PNG
(US9314468, Table 7, Compound 25)
Show SMILES Cn1c2ccccc2c2ccnc(CN(CCCCN)C3CCCc4cccnc34)c12
Show InChI InChI=1S/C26H31N5/c1-30-23-11-3-2-10-20(23)21-13-16-28-22(26(21)30)18-31(17-5-4-14-27)24-12-6-8-19-9-7-15-29-25(19)24/h2-3,7,9-11,13,15-16,24H,4-6,8,12,14,17-18,27H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221800
PNG
(US9314468, Table 7, Compound 87)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCO)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C27H33N5O/c28-13-3-4-16-31(25-11-5-7-20-8-6-14-30-26(20)25)19-23-27-22(12-15-29-23)21-9-1-2-10-24(21)32(27)17-18-33/h1-2,6,8-10,12,14-15,25,33H,3-5,7,11,13,16-19,28H2/t25-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221873
PNG
(US9314468, Table 8, Compound 11)
Show SMILES CN1CCN(CC1)C(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)C3CCCc4cccnc34)c12
Show InChI InChI=1S/C32H41N7O/c1-36-18-20-37(21-19-36)30(40)23-39-28-11-3-2-10-25(28)26-13-16-34-27(32(26)39)22-38(17-5-4-14-33)29-12-6-8-24-9-7-15-35-31(24)29/h2-3,7,9-11,13,15-16,29H,4-6,8,12,14,17-23,33H2,1H3
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Altiris Therapeutics, Inc.

US Patent


Assay Description
This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change o...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221874
PNG
(US9314468, Table 8, Compound 12 | US9314468, Table...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)C1CCCc2cccnc12
Show InChI InChI=1S/C32H41N7O/c33-15-3-4-20-38(29-11-5-7-23-8-6-16-36-31(23)29)21-27-32-26(14-19-35-27)25-9-1-2-10-28(25)39(32)22-30(40)37-24-12-17-34-18-13-24/h1-2,6,8-10,14,16,19,24,29,34H,3-5,7,11-13,15,17-18,20-22,33H2,(H,37,40)
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Altiris Therapeutics, Inc.

US Patent


Assay Description
This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change o...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221876
PNG
(US9314468, Table 8, Compound 14 | US9314468, Table...)
Show SMILES OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc34)c12
Show InChI InChI=1S/C30H38N6O/c37-21-20-36-27-9-2-1-8-24(27)25-11-13-32-26(30(25)36)22-35(17-5-16-34-18-14-31-15-19-34)28-10-3-6-23-7-4-12-33-29(23)28/h1-2,4,7-9,11-13,28,31,37H,3,5-6,10,14-22H2
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Altiris Therapeutics, Inc.

US Patent


Assay Description
This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change o...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221875
PNG
(US9314468, Table 8, Compound 13)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(O)CC3)c12)C1CCCc2cccnc12
Show InChI InChI=1S/C32H40N6O2/c33-15-3-4-18-37(29-11-5-7-23-8-6-16-35-31(23)29)21-27-32-26(12-17-34-27)25-9-1-2-10-28(25)38(32)22-30(40)36-19-13-24(39)14-20-36/h1-2,6,8-10,12,16-17,24,29,39H,3-5,7,11,13-15,18-22,33H2
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Altiris Therapeutics, Inc.

US Patent


Assay Description
This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change o...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221761
PNG
(US9314468, Table 7, Compound 48 | US9314468, Table...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C31H38N6O2/c32-13-3-4-16-36(28-11-5-7-23-8-6-14-34-30(23)28)21-26-31-25(12-15-33-26)24-9-1-2-10-27(24)37(31)22-29(38)35-17-19-39-20-18-35/h1-2,6,8-10,12,14-15,28H,3-5,7,11,13,16-22,32H2/t28-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221832
PNG
(US9314468, Table 7, Compound 119)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C32H41N5O/c33-16-3-4-19-36(30-11-5-7-25-8-6-17-35-31(25)30)23-28-32-27(12-18-34-28)26-9-1-2-10-29(26)37(32)20-13-24-14-21-38-22-15-24/h1-2,6,8-10,12,17-18,24,30H,3-5,7,11,13-16,19-23,33H2/t30-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221858
PNG
(US9314468, Table 7, Compound 145)
Show SMILES C(CN(Cc1nccc2c3ccccc3n(CC3CC3)c12)[C@H]1CCCc2cccnc12)CN1CCNCC1
Show InChI InChI=1S/C32H40N6/c1-2-9-29-26(8-1)27-13-15-34-28(32(27)38(29)22-24-11-12-24)23-37(19-5-18-36-20-16-33-17-21-36)30-10-3-6-25-7-4-14-35-31(25)30/h1-2,4,7-9,13-15,24,30,33H,3,5-6,10-12,16-23H2/t30-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221775
PNG
(US9314468, Table 7, Compound 62)
Show SMILES CCOC(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12
Show InChI InChI=1S/C29H35N5O2/c1-2-36-27(35)20-34-25-12-4-3-11-22(25)23-14-17-31-24(29(23)34)19-33(18-6-5-15-30)26-13-7-9-21-10-8-16-32-28(21)26/h3-4,8,10-12,14,16-17,26H,2,5-7,9,13,15,18-20,30H2,1H3/t26-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221783
PNG
(US9314468, Table 7, Compound 70 | US9314468, Table...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C32H43N7/c33-14-3-4-20-38(30-12-5-8-25-9-6-15-36-31(25)30)24-28-32-27(13-16-35-28)26-10-1-2-11-29(26)39(32)21-7-19-37-22-17-34-18-23-37/h1-2,6,9-11,13,15-16,30,34H,3-5,7-8,12,14,17-24,33H2/t30-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221877
PNG
(US9314468, Table 8, Compound 15)
Show SMILES O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc34)c12)N1CCOCC1
Show InChI InChI=1S/C34H43N7O2/c42-32(39-20-22-43-23-21-39)25-41-30-9-2-1-8-27(30)28-11-13-36-29(34(28)41)24-40(17-5-16-38-18-14-35-15-19-38)31-10-3-6-26-7-4-12-37-33(26)31/h1-2,4,7-9,11-13,31,35H,3,5-6,10,14-25H2
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Altiris Therapeutics, Inc.

US Patent


Assay Description
This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change o...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221783
PNG
(US9314468, Table 7, Compound 70 | US9314468, Table...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C32H43N7/c33-14-3-4-20-38(30-12-5-8-25-9-6-15-36-31(25)30)24-28-32-27(13-16-35-28)26-10-1-2-11-29(26)39(32)21-7-19-37-22-17-34-18-23-37/h1-2,6,9-11,13,15-16,30,34H,3-5,7-8,12,14,17-24,33H2/t30-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221825
PNG
(US9314468, Table 7, Compound 112 | US9314468, Tabl...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C27H32N6O/c28-13-3-4-16-32(24-11-5-7-19-8-6-14-31-26(19)24)17-22-27-21(12-15-30-22)20-9-1-2-10-23(20)33(27)18-25(29)34/h1-2,6,8-10,12,14-15,24H,3-5,7,11,13,16-18,28H2,(H2,29,34)/t24-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221740
PNG
(US9314468, Table 7, Compound 27)
Show SMILES C(CN(Cc1nccc2c3ccccc3[nH]c12)C1CCCc2cccnc12)CN1CCNCC1
Show InChI InChI=1S/C28H34N6/c1-2-9-24-22(8-1)23-11-13-30-25(28(23)32-24)20-34(17-5-16-33-18-14-29-15-19-33)26-10-3-6-21-7-4-12-31-27(21)26/h1-2,4,7-9,11-13,26,29,32H,3,5-6,10,14-20H2
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221825
PNG
(US9314468, Table 7, Compound 112 | US9314468, Tabl...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C27H32N6O/c28-13-3-4-16-32(24-11-5-7-19-8-6-14-31-26(19)24)17-22-27-21(12-15-30-22)20-9-1-2-10-23(20)33(27)18-25(29)34/h1-2,6,8-10,12,14-15,24H,3-5,7,11,13,16-18,28H2,(H2,29,34)/t24-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221851
PNG
(US9314468, Table 7, Compound 138)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3=O)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C32H41N7O/c33-14-3-4-18-38(29-12-5-8-24-9-6-15-36-31(24)29)23-27-32-26(13-16-35-27)25-10-1-2-11-28(25)39(32)20-7-19-37-21-17-34-22-30(37)40/h1-2,6,9-11,13,15-16,29,34H,3-5,7-8,12,14,17-23,33H2/t29-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221856
PNG
(US9314468, Table 7, Compound 143)
Show SMILES COCCn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12
Show InChI InChI=1S/C28H35N5O/c1-34-19-18-33-25-11-3-2-10-22(25)23-13-16-30-24(28(23)33)20-32(17-5-4-14-29)26-12-6-8-21-9-7-15-31-27(21)26/h2-3,7,9-11,13,15-16,26H,4-6,8,12,14,17-20,29H2,1H3/t26-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221827
PNG
(US9314468, Table 7, Compound 114)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCOCC3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C32H40N6O2/c33-15-3-4-18-37(29-11-5-7-23-8-6-16-35-31(23)29)21-27-32-26(12-17-34-27)25-9-1-2-10-28(25)38(32)22-30(39)36-24-13-19-40-20-14-24/h1-2,6,8-10,12,16-17,24,29H,3-5,7,11,13-15,18-22,33H2,(H,36,39)/t29-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221808
PNG
(US9314468, Table 7, Compound 95 | US9314468, Table...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C28H36N6/c29-14-3-4-18-33(26-12-5-8-21-9-6-16-32-27(21)26)20-24-28-23(13-17-31-24)22-10-1-2-11-25(22)34(28)19-7-15-30/h1-2,6,9-11,13,16-17,26H,3-5,7-8,12,14-15,18-20,29-30H2/t26-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221769
PNG
(US9314468, Table 7, Compound 56 | US9314468, Table...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(O)=O)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C27H31N5O2/c28-13-3-4-16-31(24-11-5-7-19-8-6-14-30-26(19)24)17-22-27-21(12-15-29-22)20-9-1-2-10-23(20)32(27)18-25(33)34/h1-2,6,8-10,12,14-15,24H,3-5,7,11,13,16-18,28H2,(H,33,34)/t24-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221769
PNG
(US9314468, Table 7, Compound 56 | US9314468, Table...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(O)=O)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C27H31N5O2/c28-13-3-4-16-31(24-11-5-7-19-8-6-14-30-26(19)24)17-22-27-21(12-15-29-22)20-9-1-2-10-23(20)32(27)18-25(33)34/h1-2,6,8-10,12,14-15,24H,3-5,7,11,13,16-18,28H2,(H,33,34)/t24-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221744
PNG
(US9314468, Table 7, Compound 31)
Show SMILES Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12
Show InChI InChI=1S/C26H31N5/c1-30-23-11-3-2-10-20(23)21-13-16-28-22(26(21)30)18-31(17-5-4-14-27)24-12-6-8-19-9-7-15-29-25(19)24/h2-3,7,9-11,13,15-16,24H,4-6,8,12,14,17-18,27H2,1H3/t24-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221819
PNG
(US9314468, Table 7, Compound 106)
Show SMILES C(CN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)[C@H]1CCCc2cccnc12)CN1CCNCC1
Show InChI InChI=1S/C34H45N7O/c1-2-9-31-28(8-1)29-11-13-36-30(34(29)41(31)21-20-39-22-24-42-25-23-39)26-40(17-5-16-38-18-14-35-15-19-38)32-10-3-6-27-7-4-12-37-33(27)32/h1-2,4,7-9,11-13,32,35H,3,5-6,10,14-26H2/t32-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221871
PNG
(US9314468, Table 8, Compound 9 | US9314468, Table ...)
Show SMILES C(CN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)C1CCCc2cccnc12)CN1CCNCC1
Show InChI InChI=1S/C34H45N7O/c1-2-9-31-28(8-1)29-11-13-36-30(34(29)41(31)21-20-39-22-24-42-25-23-39)26-40(17-5-16-38-18-14-35-15-19-38)32-10-3-6-27-7-4-12-37-33(27)32/h1-2,4,7-9,11-13,32,35H,3,5-6,10,14-26H2
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221840
PNG
(US9314468, Table 7, Compound 127)
Show SMILES O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12)NC1CCOCC1
Show InChI InChI=1S/C35H45N7O2/c43-33(39-27-12-22-44-23-13-27)25-42-31-9-2-1-8-28(31)29-11-15-37-30(35(29)42)24-41(19-5-18-40-20-16-36-17-21-40)32-10-3-6-26-7-4-14-38-34(26)32/h1-2,4,7-9,11,14-15,27,32,36H,3,5-6,10,12-13,16-25H2,(H,39,43)/t32-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221878
PNG
(US9314468, Table 8, Compound 16)
Show SMILES OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc34)c12
Show InChI InChI=1S/C30H36N6O2/c37-28(38)21-36-26-9-2-1-8-23(26)24-11-13-32-25(30(24)36)20-35(17-5-16-34-18-14-31-15-19-34)27-10-3-6-22-7-4-12-33-29(22)27/h1-2,4,7-9,11-13,27,31H,3,5-6,10,14-21H2,(H,37,38)
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Altiris Therapeutics, Inc.

US Patent


Assay Description
This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change o...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221785
PNG
(US9314468, Table 7, Compound 72 | US9314468, Table...)
Show SMILES CN1CCN(CC1)C(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12
Show InChI InChI=1S/C32H41N7O/c1-36-18-20-37(21-19-36)30(40)23-39-28-11-3-2-10-25(28)26-13-16-34-27(32(26)39)22-38(17-5-4-14-33)29-12-6-8-24-9-7-15-35-31(24)29/h2-3,7,9-11,13,15-16,29H,4-6,8,12,14,17-23,33H2,1H3/t29-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221785
PNG
(US9314468, Table 7, Compound 72 | US9314468, Table...)
Show SMILES CN1CCN(CC1)C(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12
Show InChI InChI=1S/C32H41N7O/c1-36-18-20-37(21-19-36)30(40)23-39-28-11-3-2-10-25(28)26-13-16-34-27(32(26)39)22-38(17-5-4-14-33)29-12-6-8-24-9-7-15-35-31(24)29/h2-3,7,9-11,13,15-16,29H,4-6,8,12,14,17-23,33H2,1H3/t29-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221755
PNG
(US9314468, Table 7, Compound 42)
Show SMILES NCCCCN(Cc1nccc2c1[nH]c1ccccc21)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C25H29N5/c26-13-3-4-16-30(23-11-5-7-18-8-6-14-28-24(18)23)17-22-25-20(12-15-27-22)19-9-1-2-10-21(19)29-25/h1-2,6,8-10,12,14-15,23,29H,3-5,7,11,13,16-17,26H2/t23-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221848
PNG
(US9314468, Table 7, Compound 135)
Show SMILES NCCCn1c2ccccc2c2ccnc(CN(CCCN3CCNC(=O)C3)[C@H]3CCCc4cccnc34)c12
Show InChI InChI=1S/C31H39N7O/c32-13-5-19-38-27-10-2-1-9-24(27)25-12-15-33-26(31(25)38)21-37(18-6-17-36-20-16-34-29(39)22-36)28-11-3-7-23-8-4-14-35-30(23)28/h1-2,4,8-10,12,14-15,28H,3,5-7,11,13,16-22,32H2,(H,34,39)/t28-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221801
PNG
(US9314468, Table 7, Compound 88)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccccn3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C31H34N6/c32-16-4-6-20-36(29-14-7-9-23-10-8-18-35-30(23)29)22-27-31-26(15-19-34-27)25-12-1-2-13-28(25)37(31)21-24-11-3-5-17-33-24/h1-3,5,8,10-13,15,17-19,29H,4,6-7,9,14,16,20-22,32H2/t29-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221803
PNG
(US9314468, Table 7, Compound 90 | US9314468, Table...)
Show SMILES CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12
Show InChI InChI=1S/C34H44N6O2/c1-34(2,3)42-31(41)24-40-29-12-5-4-11-26(29)27-14-16-36-28(33(27)40)23-39(20-8-19-38-21-17-35-18-22-38)30-13-6-9-25-10-7-15-37-32(25)30/h4-5,7,10-12,14-16,30,35H,6,8-9,13,17-24H2,1-3H3/t30-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221729
PNG
(US9314468, Table 7, Compound 16)
Show SMILES CN(C)C(=O)NCCCCN(Cc1nccc2c3ccccc3[nH]c12)C1CCCc2cccnc12
Show InChI InChI=1S/C28H34N6O/c1-33(2)28(35)31-15-5-6-18-34(25-13-7-9-20-10-8-16-30-26(20)25)19-24-27-22(14-17-29-24)21-11-3-4-12-23(21)32-27/h3-4,8,10-12,14,16-17,25,32H,5-7,9,13,15,18-19H2,1-2H3,(H,31,35)
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221884
PNG
(US9314468, Table 9, Compound 6)
Show SMILES O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12)C1CCOCC1
Show InChI InChI=1S/C35H44N6O2/c42-33(26-12-22-43-23-13-26)25-41-31-9-2-1-8-28(31)29-11-15-37-30(35(29)41)24-40(19-5-18-39-20-16-36-17-21-39)32-10-3-6-27-7-4-14-38-34(27)32/h1-2,4,7-9,11,14-15,26,32,36H,3,5-6,10,12-13,16-25H2/t32-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221847
PNG
(US9314468, Table 7, Compound 134)
Show SMILES O=C1N(CCCn2c3ccccc3c3ccnc(CN(CCCN4CCNCC4)[C@H]4CCCc5cccnc45)c23)C(=O)c2ccccc12
Show InChI InChI=1S/C39H43N7O2/c47-38-31-12-1-2-13-32(31)39(48)46(38)24-8-23-45-34-14-4-3-11-29(34)30-16-18-41-33(37(30)45)27-44(22-7-21-43-25-19-40-20-26-43)35-15-5-9-28-10-6-17-42-36(28)35/h1-4,6,10-14,16-18,35,40H,5,7-9,15,19-27H2/t35-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221788
PNG
(US9314468, Table 7, Compound 75)
Show SMILES O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12)N1CCOCC1
Show InChI InChI=1S/C34H43N7O2/c42-32(39-20-22-43-23-21-39)25-41-30-9-2-1-8-27(30)28-11-13-36-29(34(28)41)24-40(17-5-16-38-18-14-35-15-19-38)31-10-3-6-26-7-4-12-37-33(26)31/h1-2,4,7-9,11-13,31,35H,3,5-6,10,14-25H2/t31-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221852
PNG
(US9314468, Table 7, Compound 139)
Show SMILES O=C1CNCCN1CCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12
Show InChI InChI=1S/C35H46N8O/c44-33-25-37-17-24-41(33)19-6-21-43-31-10-2-1-9-28(31)29-12-14-38-30(35(29)43)26-42(20-5-18-40-22-15-36-16-23-40)32-11-3-7-27-8-4-13-39-34(27)32/h1-2,4,8-10,12-14,32,36-37H,3,5-7,11,15-26H2/t32-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221836
PNG
(US9314468, Table 7, Compound 123)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccccc3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C32H35N5/c33-18-6-7-21-36(30-16-8-12-25-13-9-19-35-31(25)30)23-28-32-27(17-20-34-28)26-14-4-5-15-29(26)37(32)22-24-10-2-1-3-11-24/h1-5,9-11,13-15,17,19-20,30H,6-8,12,16,18,21-23,33H2/t30-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221859
PNG
(US9314468, Table 7, Compound 146)
Show SMILES COCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12
Show InChI InChI=1S/C31H40N6O/c1-38-22-21-37-28-10-3-2-9-25(28)26-12-14-33-27(31(26)37)23-36(18-6-17-35-19-15-32-16-20-35)29-11-4-7-24-8-5-13-34-30(24)29/h2-3,5,8-10,12-14,29,32H,4,6-7,11,15-23H2,1H3/t29-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221814
PNG
(US9314468, Table 7, Compound 101 | US9314468, Tabl...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCNCC3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C31H41N7/c32-13-3-4-18-37(29-11-5-7-24-8-6-14-35-30(24)29)23-27-31-26(12-15-34-27)25-9-1-2-10-28(25)38(31)22-21-36-19-16-33-17-20-36/h1-2,6,8-10,12,14-15,29,33H,3-5,7,11,13,16-23,32H2/t29-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221820
PNG
(US9314468, Table 7, Compound 107)
Show SMILES OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12
Show InChI InChI=1S/C30H38N6O/c37-21-20-36-27-9-2-1-8-24(27)25-11-13-32-26(30(25)36)22-35(17-5-16-34-18-14-31-15-19-34)28-10-3-6-23-7-4-12-33-29(23)28/h1-2,4,7-9,11-13,28,31,37H,3,5-6,10,14-22H2/t28-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221876
PNG
(US9314468, Table 8, Compound 14 | US9314468, Table...)
Show SMILES OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc34)c12
Show InChI InChI=1S/C30H38N6O/c37-21-20-36-27-9-2-1-8-24(27)25-11-13-32-26(30(25)36)22-35(17-5-16-34-18-14-31-15-19-34)28-10-3-6-23-7-4-12-33-29(23)28/h1-2,4,7-9,11-13,28,31,37H,3,5-6,10,14-22H2
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221763
PNG
(US9314468, Table 7, Compound 50)
Show SMILES Cn1c2ccccc2c2cc(CN(CCCCN)[C@H]3CCCc4cccnc34)ncc12
Show InChI InChI=1S/C26H31N5/c1-30-23-11-3-2-10-21(23)22-16-20(29-17-25(22)30)18-31(15-5-4-13-27)24-12-6-8-19-9-7-14-28-26(19)24/h2-3,7,9-11,14,16-17,24H,4-6,8,12-13,15,18,27H2,1H3/t24-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221803
PNG
(US9314468, Table 7, Compound 90 | US9314468, Table...)
Show SMILES CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12
Show InChI InChI=1S/C34H44N6O2/c1-34(2,3)42-31(41)24-40-29-12-5-4-11-26(29)27-14-16-36-28(33(27)40)23-39(20-8-19-38-21-17-35-18-22-38)30-13-6-9-25-10-7-15-37-32(25)30/h4-5,7,10-12,14-16,30,35H,6,8-9,13,17-24H2,1-3H3/t30-/m0/s1
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n/an/a 59n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221822
PNG
(US9314468, Table 7, Compound 109)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCS(=O)CC3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C31H38N6O2S/c32-13-3-4-16-36(28-11-5-7-23-8-6-14-34-30(23)28)21-26-31-25(12-15-33-26)24-9-1-2-10-27(24)37(31)22-29(38)35-17-19-40(39)20-18-35/h1-2,6,8-10,12,14-15,28H,3-5,7,11,13,16-22,32H2/t28-/m0/s1
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n/an/a 61n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221814
PNG
(US9314468, Table 7, Compound 101 | US9314468, Tabl...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCNCC3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C31H41N7/c32-13-3-4-18-37(29-11-5-7-24-8-6-14-35-30(24)29)23-27-31-26(12-15-34-27)25-9-1-2-10-28(25)38(31)22-21-36-19-16-33-17-20-36/h1-2,6,8-10,12,14-15,29,33H,3-5,7,11,13,16-23,32H2/t29-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221737
PNG
(US9314468, Table 7, Compound 24)
Show SMILES NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc21)C1CCCc2cccnc12
Show InChI InChI=1S/C25H29N5/c26-12-3-4-14-30(24-11-5-7-18-8-6-13-27-25(18)24)17-19-15-21-20-9-1-2-10-22(20)29-23(21)16-28-19/h1-2,6,8-10,13,15-16,24,29H,3-5,7,11-12,14,17,26H2
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n/an/a 69n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221835
PNG
(US9314468, Table 7, Compound 122)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCSCC3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C31H38N6OS/c32-13-3-4-16-36(28-11-5-7-23-8-6-14-34-30(23)28)21-26-31-25(12-15-33-26)24-9-1-2-10-27(24)37(31)22-29(38)35-17-19-39-20-18-35/h1-2,6,8-10,12,14-15,28H,3-5,7,11,13,16-22,32H2/t28-/m0/s1
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n/an/a 78n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221761
PNG
(US9314468, Table 7, Compound 48 | US9314468, Table...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C31H38N6O2/c32-13-3-4-16-36(28-11-5-7-23-8-6-14-34-30(23)28)21-26-31-25(12-15-33-26)24-9-1-2-10-27(24)37(31)22-29(38)35-17-19-39-20-18-35/h1-2,6,8-10,12,14-15,28H,3-5,7,11,13,16-22,32H2/t28-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221752
PNG
(US9314468, Table 7, Compound 39)
Show SMILES C(CN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12)CN1CCNCC1
Show InChI InChI=1S/C28H34N6/c1-2-9-24-22(8-1)23-11-13-30-25(28(23)32-24)20-34(17-5-16-33-18-14-29-15-19-33)26-10-3-6-21-7-4-12-31-27(21)26/h1-2,4,7-9,11-13,26,29,32H,3,5-6,10,14-20H2/t26-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221758
PNG
(US9314468, Table 7, Compound 45)
Show SMILES NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc21)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C25H29N5/c26-12-3-4-14-30(24-11-5-7-18-8-6-13-27-25(18)24)17-19-15-21-20-9-1-2-10-22(20)29-23(21)16-28-19/h1-2,6,8-10,13,15-16,24,29H,3-5,7,11-12,14,17,26H2/t24-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221779
PNG
(US9314468, Table 7, Compound 66)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C32H41N7O/c33-15-3-4-20-38(29-11-5-7-23-8-6-16-36-31(23)29)21-27-32-26(14-19-35-27)25-9-1-2-10-28(25)39(32)22-30(40)37-24-12-17-34-18-13-24/h1-2,6,8-10,14,16,19,24,29,34H,3-5,7,11-13,15,17-18,20-22,33H2,(H,37,40)/t29-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221813
PNG
(US9314468, Table 7, Compound 100 | US9314468, Tabl...)
Show SMILES OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12
Show InChI InChI=1S/C30H36N6O2/c37-28(38)21-36-26-9-2-1-8-23(26)24-11-13-32-25(30(24)36)20-35(17-5-16-34-18-14-31-15-19-34)27-10-3-6-22-7-4-12-33-29(22)27/h1-2,4,7-9,11-13,27,31H,3,5-6,10,14-21H2,(H,37,38)/t27-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221809
PNG
(US9314468, Table 7, Compound 96)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccncc3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C31H34N6/c32-15-3-4-20-36(29-11-5-7-24-8-6-16-35-30(24)29)22-27-31-26(14-19-34-27)25-9-1-2-10-28(25)37(31)21-23-12-17-33-18-13-23/h1-2,6,8-10,12-14,16-19,29H,3-5,7,11,15,20-22,32H2/t29-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221804
PNG
(US9314468, Table 7, Compound 91 | US9314468, Table...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12
Show InChI InChI=1S/C33H42N6O2/c1-23-19-38(20-24(2)41-23)31(40)22-39-29-12-4-3-11-26(29)27-14-17-35-28(33(27)39)21-37(18-6-5-15-34)30-13-7-9-25-10-8-16-36-32(25)30/h3-4,8,10-12,14,16-17,23-24,30H,5-7,9,13,15,18-22,34H2,1-2H3/t23-,24+,30-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221804
PNG
(US9314468, Table 7, Compound 91 | US9314468, Table...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12
Show InChI InChI=1S/C33H42N6O2/c1-23-19-38(20-24(2)41-23)31(40)22-39-29-12-4-3-11-26(29)27-14-17-35-28(33(27)39)21-37(18-6-5-15-34)30-13-7-9-25-10-8-16-36-32(25)30/h3-4,8,10-12,14,16-17,23-24,30H,5-7,9,13,15,18-22,34H2,1-2H3/t23-,24+,30-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221845
PNG
(US9314468, Table 7, Compound 132)
Show SMILES O=C(Cn1c2ccccc2c2ccnc(CN(CCCC3CCNCC3)[C@H]3CCCc4cccnc34)c12)N1CCOCC1
Show InChI InChI=1S/C35H44N6O2/c42-33(39-20-22-43-23-21-39)25-41-31-10-2-1-9-28(31)29-14-18-37-30(35(29)41)24-40(19-5-6-26-12-16-36-17-13-26)32-11-3-7-27-8-4-15-38-34(27)32/h1-2,4,8-10,14-15,18,26,32,36H,3,5-7,11-13,16-17,19-25H2/t32-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221874
PNG
(US9314468, Table 8, Compound 12 | US9314468, Table...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)C1CCCc2cccnc12
Show InChI InChI=1S/C32H41N7O/c33-15-3-4-20-38(29-11-5-7-23-8-6-16-36-31(23)29)21-27-32-26(14-19-35-27)25-9-1-2-10-28(25)39(32)22-30(40)37-24-12-17-34-18-13-24/h1-2,6,8-10,14,16,19,24,29,34H,3-5,7,11-13,15,17-18,20-22,33H2,(H,37,40)
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221813
PNG
(US9314468, Table 7, Compound 100 | US9314468, Tabl...)
Show SMILES OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12
Show InChI InChI=1S/C30H36N6O2/c37-28(38)21-36-26-9-2-1-8-23(26)24-11-13-32-25(30(24)36)20-35(17-5-16-34-18-14-31-15-19-34)27-10-3-6-22-7-4-12-33-29(22)27/h1-2,4,7-9,11-13,27,31H,3,5-6,10,14-21H2,(H,37,38)/t27-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221844
PNG
(US9314468, Table 7, Compound 131)
Show SMILES O=C1N(CCCn2c3ccccc3c3ccnc(CN(CCCN4CCNC(=O)C4)[C@H]4CCCc5cccnc45)c23)C(=O)c2ccccc12
Show InChI InChI=1S/C39H41N7O3/c47-35-26-43(24-19-41-35)20-7-21-44(34-15-5-9-27-10-6-17-42-36(27)34)25-32-37-29(16-18-40-32)28-11-3-4-14-33(28)45(37)22-8-23-46-38(48)30-12-1-2-13-31(30)39(46)49/h1-4,6,10-14,16-18,34H,5,7-9,15,19-26H2,(H,41,47)/t34-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221714
PNG
(US9314468, Table 7, Compound 1)
Show SMILES NCCCCN(Cc1nccc2c1[nH]c1ccccc21)C1CCCc2cccnc12
Show InChI InChI=1S/C25H29N5/c26-13-3-4-16-30(23-11-5-7-18-8-6-14-28-24(18)23)17-22-25-20(12-15-27-22)19-9-1-2-10-21(19)29-25/h1-2,6,8-10,12,14-15,23,29H,3-5,7,11,13,16-17,26H2
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221792
PNG
(US9314468, Table 7, Compound 79)
Show SMILES CN(Cc1nccc2c3ccccc3n(CCN)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C24H27N5/c1-28(22-10-4-6-17-7-5-13-27-23(17)22)16-20-24-19(11-14-26-20)18-8-2-3-9-21(18)29(24)15-12-25/h2-3,5,7-9,11,13-14,22H,4,6,10,12,15-16,25H2,1H3/t22-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221843
PNG
(US9314468, Table 7, Compound 130)
Show SMILES C(CN(Cc1nccc2c3ccccc3n(Cc3ccccc3)c12)[C@H]1CCCc2cccnc12)CN1CCNCC1
Show InChI InChI=1S/C35H40N6/c1-2-9-27(10-3-1)25-41-32-14-5-4-13-29(32)30-16-18-37-31(35(30)41)26-40(22-8-21-39-23-19-36-20-24-39)33-15-6-11-28-12-7-17-38-34(28)33/h1-5,7,9-10,12-14,16-18,33,36H,6,8,11,15,19-26H2/t33-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221728
PNG
(US9314468, Table 7, Compound 15)
Show SMILES CCNCCCCN(Cc1nccc2c3ccccc3[nH]c12)C1CCCc2cccnc12
Show InChI InChI=1S/C27H33N5/c1-2-28-15-5-6-18-32(25-13-7-9-20-10-8-16-30-26(20)25)19-24-27-22(14-17-29-24)21-11-3-4-12-23(21)31-27/h3-4,8,10-12,14,16-17,25,28,31H,2,5-7,9,13,15,18-19H2,1H3
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221826
PNG
(US9314468, Table 7, Compound 113)
Show SMILES C(CN(Cc1nccc2c3ccccc3n(Cc3ccccn3)c12)[C@H]1CCCc2cccnc12)CN1CCNCC1
Show InChI InChI=1S/C34H39N7/c1-2-12-31-28(11-1)29-14-17-37-30(34(29)41(31)24-27-10-3-4-15-36-27)25-40(21-7-20-39-22-18-35-19-23-39)32-13-5-8-26-9-6-16-38-33(26)32/h1-4,6,9-12,14-17,32,35H,5,7-8,13,18-25H2/t32-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221818
PNG
(US9314468, Table 7, Compound 105)
Show SMILES CN1CCN(CCCN(Cc2nccc3c4ccccc4[nH]c23)[C@H]2CCCc3cccnc23)CC1
Show InChI InChI=1S/C29H36N6/c1-33-17-19-34(20-18-33)15-6-16-35(27-11-4-7-22-8-5-13-31-28(22)27)21-26-29-24(12-14-30-26)23-9-2-3-10-25(23)32-29/h2-3,5,8-10,12-14,27,32H,4,6-7,11,15-21H2,1H3/t27-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221816
PNG
(US9314468, Table 7, Compound 103)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(O)CC3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C32H40N6O2/c33-15-3-4-18-37(29-11-5-7-23-8-6-16-35-31(23)29)21-27-32-26(12-17-34-27)25-9-1-2-10-28(25)38(32)22-30(40)36-19-13-24(39)14-20-36/h1-2,6,8-10,12,16-17,24,29,39H,3-5,7,11,13-15,18-22,33H2/t29-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221787
PNG
(US9314468, Table 7, Compound 74)
Show SMILES CN(Cc1nccc2c3ccccc3n(CCCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C33H31N5O2/c1-36(29-15-6-9-22-10-7-17-35-30(22)29)21-27-31-24(16-18-34-27)23-11-4-5-14-28(23)37(31)19-8-20-38-32(39)25-12-2-3-13-26(25)33(38)40/h2-5,7,10-14,16-18,29H,6,8-9,15,19-21H2,1H3/t29-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221841
PNG
(US9314468, Table 7, Compound 128)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCCCC3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C32H40N6O/c33-16-4-7-21-37(29-14-8-10-24-11-9-17-35-31(24)29)22-27-32-26(15-18-34-27)25-12-2-3-13-28(25)38(32)23-30(39)36-19-5-1-6-20-36/h2-3,9,11-13,15,17-18,29H,1,4-8,10,14,16,19-23,33H2/t29-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221790
PNG
(US9314468, Table 7, Compound 77)
Show SMILES CN(Cc1nccc2c3ccccc3n(CCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C32H29N5O2/c1-35(28-14-6-8-21-9-7-16-34-29(21)28)20-26-30-23(15-17-33-26)22-10-4-5-13-27(22)36(30)18-19-37-31(38)24-11-2-3-12-25(24)32(37)39/h2-5,7,9-13,15-17,28H,6,8,14,18-20H2,1H3/t28-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221766
PNG
(US9314468, Table 7, Compound 53)
Show SMILES C(CN(Cc1cc2c(cn1)[nH]c1ccccc21)[C@H]1CCCc2cccnc12)CN1CCNCC1
Show InChI InChI=1S/C28H34N6/c1-2-9-25-23(8-1)24-18-22(31-19-26(24)32-25)20-34(15-5-14-33-16-12-29-13-17-33)27-10-3-6-21-7-4-11-30-28(21)27/h1-2,4,7-9,11,18-19,27,29,32H,3,5-6,10,12-17,20H2/t27-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221842
PNG
(US9314468, Table 7, Compound 129)
Show SMILES O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12)N1CCCCC1
Show InChI InChI=1S/C35H45N7O/c43-33(40-20-4-1-5-21-40)26-42-31-12-3-2-11-28(31)29-14-16-37-30(35(29)42)25-41(22-8-19-39-23-17-36-18-24-39)32-13-6-9-27-10-7-15-38-34(27)32/h2-3,7,10-12,14-16,32,36H,1,4-6,8-9,13,17-26H2/t32-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221862
PNG
(US9314468, Table 7, Compound 149)
Show SMILES CC(N(CCCCN)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)c1ccccn1
Show InChI InChI=1S/C29H36N6O2/c1-22(25-9-4-6-13-31-25)34(15-7-5-12-30)20-26-29-24(11-14-32-26)23-8-2-3-10-27(23)35(29)21-28(36)33-16-18-37-19-17-33/h2-4,6,8-11,13-14,22H,5,7,12,15-21,30H2,1H3
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221747
PNG
(US9314468, Table 7, Compound 34)
Show SMILES C(CCN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12)CNCC1CC1
Show InChI InChI=1S/C29H35N5/c1-2-10-25-23(9-1)24-14-17-31-26(29(24)33-25)20-34(18-4-3-15-30-19-21-12-13-21)27-11-5-7-22-8-6-16-32-28(22)27/h1-2,6,8-10,14,16-17,21,27,30,33H,3-5,7,11-13,15,18-20H2/t27-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221815
PNG
(US9314468, Table 7, Compound 102)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(Cc3cccnc3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C31H34N6/c32-15-3-4-19-36(29-13-5-9-24-10-7-17-35-30(24)29)22-27-31-26(14-18-34-27)25-11-1-2-12-28(25)37(31)21-23-8-6-16-33-20-23/h1-2,6-8,10-12,14,16-18,20,29H,3-5,9,13,15,19,21-22,32H2/t29-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221725
PNG
(US9314468, Table 7, Compound 12)
Show SMILES NCCCCN(Cc1nccc2c3ccc(F)cc3[nH]c12)C1CCCc2cccnc12
Show InChI InChI=1S/C25H28FN5/c26-18-8-9-19-20-10-13-28-22(25(20)30-21(19)15-18)16-31(14-2-1-11-27)23-7-3-5-17-6-4-12-29-24(17)23/h4,6,8-10,12-13,15,23,30H,1-3,5,7,11,14,16,27H2
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221846
PNG
(US9314468, Table 7, Compound 133)
Show SMILES Cc1cccnc1CN(CCCCN)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12
Show InChI InChI=1S/C29H36N6O2/c1-22-7-6-12-31-25(22)19-33(14-5-4-11-30)20-26-29-24(10-13-32-26)23-8-2-3-9-27(23)35(29)21-28(36)34-15-17-37-18-16-34/h2-3,6-10,12-13H,4-5,11,14-21,30H2,1H3
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221829
PNG
(US9314468, Table 7, Compound 116)
Show SMILES CN1CCN(CCCN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc23)CC1
Show InChI InChI=1S/C35H45N7O2/c1-38-17-19-39(20-18-38)15-6-16-41(32-11-4-7-27-8-5-13-37-34(27)32)25-30-35-29(12-14-36-30)28-9-2-3-10-31(28)42(35)26-33(43)40-21-23-44-24-22-40/h2-3,5,8-10,12-14,32H,4,6-7,11,15-26H2,1H3/t32-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221778
PNG
(US9314468, Table 7, Compound 65)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCNCC3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C31H39N7O/c32-13-3-4-18-37(28-11-5-7-23-8-6-14-35-30(23)28)21-26-31-25(12-15-34-26)24-9-1-2-10-27(24)38(31)22-29(39)36-19-16-33-17-20-36/h1-2,6,8-10,12,14-15,28,33H,3-5,7,11,13,16-22,32H2/t28-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221745
PNG
(US9314468, Table 7, Compound 32)
Show SMILES CCNCCCCN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C27H33N5/c1-2-28-15-5-6-18-32(25-13-7-9-20-10-8-16-30-26(20)25)19-24-27-22(14-17-29-24)21-11-3-4-12-23(21)31-27/h3-4,8,10-12,14,16-17,25,28,31H,2,5-7,9,13,15,18-19H2,1H3/t25-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221727
PNG
(US9314468, Table 7, Compound 14)
Show SMILES C(CCN(Cc1nccc2c3ccccc3[nH]c12)C1CCCc2cccnc12)CNCC1CC1
Show InChI InChI=1S/C29H35N5/c1-2-10-25-23(9-1)24-14-17-31-26(29(24)33-25)20-34(18-4-3-15-30-19-21-12-13-21)27-11-5-7-22-8-6-16-32-28(22)27/h1-2,6,8-10,14,16-17,21,27,30,33H,3-5,7,11-13,15,18-20H2
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221768
PNG
(US9314468, Table 7, Compound 55)
Show SMILES NCCCCN(Cc1cc2c(cn1)n(CC(O)=O)c1ccccc21)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C27H31N5O2/c28-12-3-4-14-31(24-11-5-7-19-8-6-13-29-27(19)24)17-20-15-22-21-9-1-2-10-23(21)32(18-26(33)34)25(22)16-30-20/h1-2,6,8-10,13,15-16,24H,3-5,7,11-12,14,17-18,28H2,(H,33,34)/t24-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221781
PNG
(US9314468, Table 7, Compound 68)
Show SMILES NC\C=C/CN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C25H27N5/c26-13-3-4-16-30(23-11-5-7-18-8-6-14-28-24(18)23)17-22-25-20(12-15-27-22)19-9-1-2-10-21(19)29-25/h1-4,6,8-10,12,14-15,23,29H,5,7,11,13,16-17,26H2/b4-3-/t23-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221771
PNG
(US9314468, Table 7, Compound 58)
Show SMILES CC(C)(C)OC(=O)Cn1c2ccccc2c2cc(CN(CCCCN)[C@H]3CCCc4cccnc34)ncc12
Show InChI InChI=1S/C31H39N5O2/c1-31(2,3)38-29(37)21-36-26-13-5-4-12-24(26)25-18-23(34-19-28(25)36)20-35(17-7-6-15-32)27-14-8-10-22-11-9-16-33-30(22)27/h4-5,9,11-13,16,18-19,27H,6-8,10,14-15,17,20-21,32H2,1-3H3/t27-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221811
PNG
(US9314468, Table 7, Compound 98)
Show SMILES CCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C26H31N5/c1-2-30(24-12-5-8-19-9-6-15-29-25(19)24)18-22-26-21(13-16-28-22)20-10-3-4-11-23(20)31(26)17-7-14-27/h3-4,6,9-11,13,15-16,24H,2,5,7-8,12,14,17-18,27H2,1H3/t24-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221791
PNG
(US9314468, Table 7, Compound 78)
Show SMILES CN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C25H29N5/c1-29(23-11-4-7-18-8-5-14-28-24(18)23)17-21-25-20(12-15-27-21)19-9-2-3-10-22(19)30(25)16-6-13-26/h2-3,5,8-10,12,14-15,23H,4,6-7,11,13,16-17,26H2,1H3/t23-/m0/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221757
PNG
(US9314468, Table 7, Compound 44)
Show SMILES NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc21)[C@@H]1CCCc2cccnc12
Show InChI InChI=1S/C25H29N5/c26-12-3-4-14-30(24-11-5-7-18-8-6-13-27-25(18)24)17-19-15-21-20-9-1-2-10-22(20)29-23(21)16-28-19/h1-2,6,8-10,13,15-16,24,29H,3-5,7,11-12,14,17,26H2/t24-/m1/s1
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n/an/a 1.18E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221850
PNG
(US9314468, Table 7, Compound 137)
Show SMILES N[C@H]1CC[C@@H](CN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc23)CC1
Show InChI InChI=1S/C34H42N6O2/c35-26-12-10-24(11-13-26)21-39(31-9-3-5-25-6-4-15-37-33(25)31)22-29-34-28(14-16-36-29)27-7-1-2-8-30(27)40(34)23-32(41)38-17-19-42-20-18-38/h1-2,4,6-8,14-16,24,26,31H,3,5,9-13,17-23,35H2/t24-,26+,31-/m0/s1
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n/an/a 1.26E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221756
PNG
(US9314468, Table 7, Compound 43)
Show SMILES NCCCCN(Cc1nccc2c1[nH]c1ccccc21)[C@@H]1CCCc2cccnc12
Show InChI InChI=1S/C25H29N5/c26-13-3-4-16-30(23-11-5-7-18-8-6-14-28-24(18)23)17-22-25-20(12-15-27-22)19-9-1-2-10-21(19)29-25/h1-2,6,8-10,12,14-15,23,29H,3-5,7,11,13,16-17,26H2/t23-/m1/s1
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n/an/a 1.34E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221830
PNG
(US9314468, Table 7, Compound 117)
Show SMILES O=C(Cn1c2ccccc2c2ccnc(CN(CCCCNCc3cccnc3)[C@H]3CCCc4cccnc34)c12)N1CCOCC1
Show InChI InChI=1S/C37H43N7O2/c45-35(42-20-22-46-23-21-42)27-44-33-12-2-1-11-30(33)31-14-18-40-32(37(31)44)26-43(34-13-5-9-29-10-7-17-41-36(29)34)19-4-3-15-38-24-28-8-6-16-39-25-28/h1-2,6-8,10-12,14,16-18,25,34,38H,3-5,9,13,15,19-24,26-27H2/t34-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221782
PNG
(US9314468, Table 7, Compound 69)
Show SMILES NC(=O)CCCN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C25H27N5O/c26-23(31)11-5-15-30(22-10-3-6-17-7-4-13-28-24(17)22)16-21-25-19(12-14-27-21)18-8-1-2-9-20(18)29-25/h1-2,4,7-9,12-14,22,29H,3,5-6,10-11,15-16H2,(H2,26,31)/t22-/m0/s1
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n/an/a 1.44E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221802
PNG
(US9314468, Table 7, Compound 89)
Show SMILES CCN(Cc1nccc2c3ccccc3n(CCCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C34H33N5O2/c1-2-37(30-16-7-10-23-11-8-18-36-31(23)30)22-28-32-25(17-19-35-28)24-12-5-6-15-29(24)38(32)20-9-21-39-33(40)26-13-3-4-14-27(26)34(39)41/h3-6,8,11-15,17-19,30H,2,7,9-10,16,20-22H2,1H3/t30-/m0/s1
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n/an/a 1.64E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221716
PNG
(US9314468, Table 7, Compound 3)
Show SMILES C(CCN(Cc1nccc2c3ccccc3[nH]c12)C1CCCc2cccnc12)CNC1=NCCN1
Show InChI InChI=1S/C28H33N7/c1-2-10-23-21(9-1)22-12-15-29-24(27(22)34-23)19-35(18-4-3-13-31-28-32-16-17-33-28)25-11-5-7-20-8-6-14-30-26(20)25/h1-2,6,8-10,12,14-15,25,34H,3-5,7,11,13,16-19H2,(H2,31,32,33)
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n/an/a 1.67E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221730
PNG
(US9314468, Table 7, Compound 17)
Show SMILES CC(=O)NCCCCN(Cc1nccc2c3ccccc3[nH]c12)C1CCCc2cccnc12
Show InChI InChI=1S/C27H31N5O/c1-19(33)28-14-4-5-17-32(25-12-6-8-20-9-7-15-30-26(20)25)18-24-27-22(13-16-29-24)21-10-2-3-11-23(21)31-27/h2-3,7,9-11,13,15-16,25,31H,4-6,8,12,14,17-18H2,1H3,(H,28,33)
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n/an/a 1.72E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM221825
PNG
(US9314468, Table 7, Compound 112 | US9314468, Tabl...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C27H32N6O/c28-13-3-4-16-32(24-11-5-7-19-8-6-14-31-26(19)24)17-22-27-21(12-15-30-22)20-9-1-2-10-23(20)33(27)18-25(29)34/h1-2,6,8-10,12,14-15,24H,3-5,7,11,13,16-18,28H2,(H2,29,34)/t24-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
The in vitro effects of the selected compounds on the hERG (human ether--go-go-related gene) potassium channel current (a surrogate for IKr, the rap...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221794
PNG
(US9314468, Table 7, Compound 81)
Show SMILES O=C(CN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12)N1CCNCC1
Show InChI InChI=1S/C27H30N6O/c34-25(32-15-13-28-14-16-32)18-33(24-9-3-5-19-6-4-11-30-26(19)24)17-23-27-21(10-12-29-23)20-7-1-2-8-22(20)31-27/h1-2,4,6-8,10-12,24,28,31H,3,5,9,13-18H2/t24-/m0/s1
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n/an/a 1.81E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221741
PNG
(US9314468, Table 7, Compound 28)
Show SMILES CC(C)(C)C(=O)N1CCN(CCCN(Cc2nccc3c4ccccc4[nH]c23)C2CCCc3cccnc23)CC1
Show InChI InChI=1S/C33H42N6O/c1-33(2,3)32(40)38-21-19-37(20-22-38)17-8-18-39(29-13-6-9-24-10-7-15-35-30(24)29)23-28-31-26(14-16-34-28)25-11-4-5-12-27(25)36-31/h4-5,7,10-12,14-16,29,36H,6,8-9,13,17-23H2,1-3H3
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n/an/a 1.93E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221743
PNG
(US9314468, Table 7, Compound 30)
Show SMILES C(CCN1CCNCC1)CN(Cc1nccc2c3ccccc3[nH]c12)C1CCCc2cccnc12
Show InChI InChI=1S/C29H36N6/c1-2-10-25-23(9-1)24-12-14-31-26(29(24)33-25)21-35(18-4-3-17-34-19-15-30-16-20-34)27-11-5-7-22-8-6-13-32-28(22)27/h1-2,6,8-10,12-14,27,30,33H,3-5,7,11,15-21H2
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n/an/a 1.96E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221762
PNG
(US9314468, Table 7, Compound 49)
Show SMILES NCCCCN(Cc1ccccn1)Cc1nccc2c3ccccc3[nH]c12
Show InChI InChI=1S/C22H25N5/c23-11-4-6-14-27(15-17-7-3-5-12-24-17)16-21-22-19(10-13-25-21)18-8-1-2-9-20(18)26-22/h1-3,5,7-10,12-13,26H,4,6,11,14-16,23H2
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n/an/a 1.97E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221849
PNG
(US9314468, Table 7, Compound 136)
Show SMILES N[C@H]1CC[C@H](CN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc23)CC1
Show InChI InChI=1S/C34H42N6O2/c35-26-12-10-24(11-13-26)21-39(31-9-3-5-25-6-4-15-37-33(25)31)22-29-34-28(14-16-36-29)27-7-1-2-8-30(27)40(34)23-32(41)38-17-19-42-20-18-38/h1-2,4,6-8,14-16,24,26,31H,3,5,9-13,17-23,35H2/t24-,26-,31-/m0/s1
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n/an/a 2.15E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM221876
PNG
(US9314468, Table 8, Compound 14 | US9314468, Table...)
Show SMILES OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc34)c12
Show InChI InChI=1S/C30H38N6O/c37-21-20-36-27-9-2-1-8-24(27)25-11-13-32-26(30(25)36)22-35(17-5-16-34-18-14-31-15-19-34)28-10-3-6-23-7-4-12-33-29(23)28/h1-2,4,7-9,11-13,28,31,37H,3,5-6,10,14-22H2
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Altiris Therapeutics, Inc.

US Patent


Assay Description
The in vitro effects of the selected compounds on the hERG (human ether--go-go-related gene) potassium channel current (a surrogate for IKr, the rap...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM221769
PNG
(US9314468, Table 7, Compound 56 | US9314468, Table...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(O)=O)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C27H31N5O2/c28-13-3-4-16-31(24-11-5-7-19-8-6-14-30-26(19)24)17-22-27-21(12-15-29-22)20-9-1-2-10-23(20)32(27)18-25(33)34/h1-2,6,8-10,12,14-15,24H,3-5,7,11,13,16-18,28H2,(H,33,34)/t24-/m0/s1
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Altiris Therapeutics, Inc.

US Patent


Assay Description
The in vitro effects of the selected compounds on the hERG (human ether--go-go-related gene) potassium channel current (a surrogate for IKr, the rap...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221759
PNG
(US9314468, Table 7, Compound 46)
Show SMILES CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN[C@H]3CCCc4cccnc34)c12
Show InChI InChI=1S/C27H30N4O2/c1-27(2,3)33-24(32)17-31-23-12-5-4-10-19(23)20-13-15-28-22(26(20)31)16-30-21-11-6-8-18-9-7-14-29-25(18)21/h4-5,7,9-10,12-15,21,30H,6,8,11,16-17H2,1-3H3/t21-/m0/s1
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n/an/a 2.81E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221831
PNG
(US9314468, Table 7, Compound 118)
Show SMILES O=C(Cn1c2ccccc2c2ccnc(CN(CCCCNCc3ccncc3)[C@H]3CCCc4cccnc34)c12)N1CCOCC1
Show InChI InChI=1S/C37H43N7O2/c45-35(42-21-23-46-24-22-42)27-44-33-10-2-1-9-30(33)31-14-19-40-32(37(31)44)26-43(34-11-5-7-29-8-6-16-41-36(29)34)20-4-3-15-39-25-28-12-17-38-18-13-28/h1-2,6,8-10,12-14,16-19,34,39H,3-5,7,11,15,20-27H2/t34-/m0/s1
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n/an/a 2.83E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM221871
PNG
(US9314468, Table 8, Compound 9 | US9314468, Table ...)
Show SMILES C(CN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)C1CCCc2cccnc12)CN1CCNCC1
Show InChI InChI=1S/C34H45N7O/c1-2-9-31-28(8-1)29-11-13-36-30(34(29)41(31)21-20-39-22-24-42-25-23-39)26-40(17-5-16-38-18-14-35-15-19-38)32-10-3-6-27-7-4-12-37-33(27)32/h1-2,4,7-9,11-13,32,35H,3,5-6,10,14-26H2
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n/an/a 3.10E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
The in vitro effects of the selected compounds on the hERG (human ether--go-go-related gene) potassium channel current (a surrogate for IKr, the rap...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221715
PNG
(US9314468, Table 7, Compound 2)
Show SMILES Cn1c(CN(CCCCN)C2CCCc3cccnc23)nnc1-c1ccccc1
Show InChI InChI=1S/C23H30N6/c1-28-21(26-27-23(28)19-9-3-2-4-10-19)17-29(16-6-5-14-24)20-13-7-11-18-12-8-15-25-22(18)20/h2-4,8-10,12,15,20H,5-7,11,13-14,16-17,24H2,1H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221786
PNG
(US9314468, Table 7, Compound 73)
Show SMILES CN(Cc1nccc2c3ccccc3n(CCCCN)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C26H31N5/c1-30(24-12-6-8-19-9-7-15-29-25(19)24)18-22-26-21(13-16-28-22)20-10-2-3-11-23(20)31(26)17-5-4-14-27/h2-3,7,9-11,13,15-16,24H,4-6,8,12,14,17-18,27H2,1H3/t24-/m0/s1
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n/an/a 3.37E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221824
PNG
(US9314468, Table 7, Compound 111)
Show SMILES C(C1CCCNC1)N(Cc1nccc2c1[nH]c1ccccc21)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C27H31N5/c1-2-10-23-21(9-1)22-12-15-29-24(27(22)31-23)18-32(17-19-6-4-13-28-16-19)25-11-3-7-20-8-5-14-30-26(20)25/h1-2,5,8-10,12,14-15,19,25,28,31H,3-4,6-7,11,13,16-18H2/t19?,25-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221807
PNG
(US9314468, Table 7, Compound 94)
Show SMILES C(N(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12)c1ccccc1N1CCNCC1
Show InChI InChI=1S/C32H34N6/c1-4-12-29(37-19-17-33-18-20-37)24(7-1)21-38(30-13-5-8-23-9-6-15-35-31(23)30)22-28-32-26(14-16-34-28)25-10-2-3-11-27(25)36-32/h1-4,6-7,9-12,14-16,30,33,36H,5,8,13,17-22H2/t30-/m0/s1
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n/an/a 3.73E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM221783
PNG
(US9314468, Table 7, Compound 70 | US9314468, Table...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C32H43N7/c33-14-3-4-20-38(30-12-5-8-25-9-6-15-36-31(25)30)24-28-32-27(13-16-35-28)26-10-1-2-11-29(26)39(32)21-7-19-37-22-17-34-18-23-37/h1-2,6,9-11,13,15-16,30,34H,3-5,7-8,12,14,17-24,33H2/t30-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

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n/an/a 4.10E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
The in vitro effects of the selected compounds on the hERG (human ether--go-go-related gene) potassium channel current (a surrogate for IKr, the rap...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221789
PNG
(US9314468, Table 7, Compound 76)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(N)CC3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C32H41N7O/c33-15-3-4-18-38(29-11-5-7-23-8-6-16-36-31(23)29)21-27-32-26(12-17-35-27)25-9-1-2-10-28(25)39(32)22-30(40)37-19-13-24(34)14-20-37/h1-2,6,8-10,12,16-17,24,29H,3-5,7,11,13-15,18-22,33-34H2/t29-/m0/s1
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n/an/a 4.39E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221717
PNG
(US9314468, Table 7, Compound 4)
Show SMILES C(CCN(Cc1nccc2c1[nH]c1ccccc21)C1CCCc2cccnc12)CNCc1ccccn1
Show InChI InChI=1S/C31H34N6/c1-2-13-27-25(12-1)26-15-19-34-28(31(26)36-27)22-37(29-14-7-9-23-10-8-18-35-30(23)29)20-6-5-16-32-21-24-11-3-4-17-33-24/h1-4,8,10-13,15,17-19,29,32,36H,5-7,9,14,16,20-22H2
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n/an/a 5.10E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221810
PNG
(US9314468, Table 7, Compound 97)
Show SMILES CC(C)CN(Cc1nccc2c3ccccc3n(CCCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C36H37N5O2/c1-24(2)22-39(32-16-7-10-25-11-8-18-38-33(25)32)23-30-34-27(17-19-37-30)26-12-5-6-15-31(26)40(34)20-9-21-41-35(42)28-13-3-4-14-29(28)36(41)43/h3-6,8,11-15,17-19,24,32H,7,9-10,16,20-23H2,1-2H3/t32-/m0/s1
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n/an/a 6.65E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221773
PNG
(US9314468, Table 7, Compound 60)
Show SMILES NC(=O)NCCCCN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C26H30N6O/c27-26(33)30-13-3-4-16-32(23-11-5-7-18-8-6-14-29-24(18)23)17-22-25-20(12-15-28-22)19-9-1-2-10-21(19)31-25/h1-2,6,8-10,12,14-15,23,31H,3-5,7,11,13,16-17H2,(H3,27,30,33)/t23-/m0/s1
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n/an/a 6.67E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221821
PNG
(US9314468, Table 7, Compound 108)
Show SMILES C(N[C@H]1CCCc2cccnc12)c1nccc2c3ccccc3n(Cc3ccccn3)c12
Show InChI InChI=1S/C27H25N5/c1-2-12-25-21(10-1)22-13-16-29-24(27(22)32(25)18-20-9-3-4-14-28-20)17-31-23-11-5-7-19-8-6-15-30-26(19)23/h1-4,6,8-10,12-16,23,31H,5,7,11,17-18H2/t23-/m0/s1
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n/an/a 8.39E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221828
PNG
(US9314468, Table 7, Compound 115)
Show SMILES O=C(Cn1c2ccccc2c2ccnc(CN(CCCCNCc3ccccn3)[C@H]3CCCc4cccnc34)c12)N1CCOCC1
Show InChI InChI=1S/C37H43N7O2/c45-35(42-21-23-46-24-22-42)27-44-33-13-2-1-12-30(33)31-15-19-40-32(37(31)44)26-43(34-14-7-9-28-10-8-18-41-36(28)34)20-6-5-16-38-25-29-11-3-4-17-39-29/h1-4,8,10-13,15,17-19,34,38H,5-7,9,14,16,20-27H2/t34-/m0/s1
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n/an/a 8.65E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221839
PNG
(US9314468, Table 7, Compound 126)
Show SMILES O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNC(=O)C3)[C@H]3CCCc4cccnc34)c12)N1CCOCC1
Show InChI InChI=1S/C34H41N7O3/c42-31-23-38(17-14-36-31)15-5-16-40(30-10-3-6-25-7-4-12-37-33(25)30)22-28-34-27(11-13-35-28)26-8-1-2-9-29(26)41(34)24-32(43)39-18-20-44-21-19-39/h1-2,4,7-9,11-13,30H,3,5-6,10,14-24H2,(H,36,42)/t30-/m0/s1
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n/an/a 8.72E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221799
PNG
(US9314468, Table 7, Compound 86)
Show SMILES NCCCn1c2ccccc2c2ccnc(CN[C@H]3CCCc4cccnc34)c12
Show InChI InChI=1S/C24H27N5/c25-12-5-15-29-22-10-2-1-8-18(22)19-11-14-26-21(24(19)29)16-28-20-9-3-6-17-7-4-13-27-23(17)20/h1-2,4,7-8,10-11,13-14,20,28H,3,5-6,9,12,15-16,25H2/t20-/m0/s1
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n/an/a 8.89E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221817
PNG
(US9314468, Table 7, Compound 104)
Show SMILES CC(C)(C)OC(=O)[C@@H](N)CCCN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C30H37N5O2/c1-30(2,3)37-29(36)23(31)12-8-18-35(26-14-6-9-20-10-7-16-33-27(20)26)19-25-28-22(15-17-32-25)21-11-4-5-13-24(21)34-28/h4-5,7,10-11,13,15-17,23,26,34H,6,8-9,12,14,18-19,31H2,1-3H3/t23-,26-/m0/s1
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n/an/a 9.59E+3n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM221736
PNG
(US9314468, Table 7, Compound 23)
Show SMILES CS(=O)(=O)N1CCN(CCN(Cc2nccc3c4ccccc4[nH]c23)C2CCCc3cccnc23)CC1
Show InChI InChI=1S/C28H34N6O2S/c1-37(35,36)34-18-15-32(16-19-34)14-17-33(26-10-4-6-21-7-5-12-30-27(21)26)20-25-28-23(11-13-29-25)22-8-2-3-9-24(22)31-28/h2-3,5,7-9,11-13,26,31H,4,6,10,14-20H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%