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Compile Data Set for Download or QSAR

Found 140 hits Enz. Inhib. hit(s) with all data for entry = 7833   
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


(Homo sapiens (Human))
BDBM221860
PNG
(US9314468, Table 7, Compound 147)
Show SMILES C(CN(Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12)[C@H]1CCCc2cccnc12)CN1CCNCC1 |r|
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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n/an/a 1n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221760
PNG
(US9314468, Table 7, Compound 47)
Show SMILES CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12 |r|
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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n/an/a 1n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221857
PNG
(US9314468, Table 7, Compound 144)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC3CC3)c12)[C@H]1CCCc2cccnc12 |r|
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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n/an/a 4n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221796
PNG
(US9314468, Table 7, Compound 83)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)[C@H]1CCCc2cccnc12 |r|
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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n/an/a 4n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221834
PNG
(US9314468, Table 7, Compound 121)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNC(=O)C3)c12)[C@H]1CCCc2cccnc12 |r|
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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n/an/a 4n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221854
PNG
(US9314468, Table 7, Compound 141)
Show SMILES NCCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12 |r|
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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n/an/a 5n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(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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n/an/a 5.5n/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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(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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n/an/a 5.60n/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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(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
PDB

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n/an/a 5.70n/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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(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)
PDB

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n/an/a 5.80n/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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221808
PNG
(US9314468, Table 7, Compound 95 | US9314468, Table...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc12 |r|
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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n/an/a 7n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(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
PDB

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n/an/a 7.30n/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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(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
PDB

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n/an/a 7.70n/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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(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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n/an/a 8.10n/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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(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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n/an/a 8.30n/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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221853
PNG
(US9314468, Table 7, Compound 140)
Show SMILES NC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12 |r|
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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n/an/a 9n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221793
PNG
(US9314468, Table 7, Compound 80)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC#C)c12)[C@H]1CCCc2cccnc12 |r|
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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n/an/a 9n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(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
PDB

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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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(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 |r|
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?
PDB

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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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(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/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(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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n/an/a 11n/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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221800
PNG
(US9314468, Table 7, Compound 87)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCO)c12)[C@H]1CCCc2cccnc12 |r|
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/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(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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n/an/a 12n/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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221761
PNG
(US9314468, Table 7, Compound 48 | US9314468, Table...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)[C@H]1CCCc2cccnc12 |r|
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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n/an/a 12n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(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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n/an/a 12n/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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(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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n/an/a 12n/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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221832
PNG
(US9314468, Table 7, Compound 119)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12)[C@H]1CCCc2cccnc12 |r|
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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n/an/a 13n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221858
PNG
(US9314468, Table 7, Compound 145)
Show SMILES C(CN(Cc1nccc2c3ccccc3n(CC3CC3)c12)[C@H]1CCCc2cccnc12)CN1CCNCC1 |r|
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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n/an/a 14n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221783
PNG
(US9314468, Table 7, Compound 70 | US9314468, Table...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)[C@H]1CCCc2cccnc12 |r|
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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n/an/a 15n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221775
PNG
(US9314468, Table 7, Compound 62)
Show SMILES CCOC(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12 |r|
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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n/an/a 15n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(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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n/an/a 15n/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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221783
PNG
(US9314468, Table 7, Compound 70 | US9314468, Table...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)[C@H]1CCCc2cccnc12 |r|
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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n/an/a 16n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221825
PNG
(US9314468, Table 7, Compound 112 | US9314468, Tabl...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)[C@H]1CCCc2cccnc12 |r|
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 17n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221825
PNG
(US9314468, Table 7, Compound 112 | US9314468, Tabl...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)[C@H]1CCCc2cccnc12 |r|
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
PDB

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n/an/a 18n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221740
PNG
(US9314468, Table 7, Compound 27)
Show SMILES C(CN(Cc1nccc2c3ccccc3[nH]c12)C1CCCc2cccnc12)CN1CCNCC1
PDB

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n/an/a 18n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221851
PNG
(US9314468, Table 7, Compound 138)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3=O)c12)[C@H]1CCCc2cccnc12 |r|
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
PDB

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n/an/a 20n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221856
PNG
(US9314468, Table 7, Compound 143)
Show SMILES COCCn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12 |r|
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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n/an/a 20n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221827
PNG
(US9314468, Table 7, Compound 114)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCOCC3)c12)[C@H]1CCCc2cccnc12 |r|
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
PDB

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n/an/a 21n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221808
PNG
(US9314468, Table 7, Compound 95 | US9314468, Table...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc12 |r|
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
PDB

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n/an/a 21n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221769
PNG
(US9314468, Table 7, Compound 56 | US9314468, Table...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(O)=O)c12)[C@H]1CCCc2cccnc12 |r|
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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n/an/a 22n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221769
PNG
(US9314468, Table 7, Compound 56 | US9314468, Table...)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(O)=O)c12)[C@H]1CCCc2cccnc12 |r|
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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n/an/a 22n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221744
PNG
(US9314468, Table 7, Compound 31)
Show SMILES Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12 |r|
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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n/an/a 22n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221819
PNG
(US9314468, Table 7, Compound 106)
Show SMILES C(CN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)[C@H]1CCCc2cccnc12)CN1CCNCC1 |r|
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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n/an/a 24n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(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 24n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221840
PNG
(US9314468, Table 7, Compound 127)
Show SMILES O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12)NC1CCOCC1 |r|
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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n/an/a 26n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(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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n/an/a 26n/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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221755
PNG
(US9314468, Table 7, Compound 42)
Show SMILES NCCCCN(Cc1nccc2c1[nH]c1ccccc21)[C@H]1CCCc2cccnc12 |r|
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n/an/a 30n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(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 |r|
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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n/an/a 30n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM221848
PNG
(US9314468, Table 7, Compound 135)
Show SMILES NCCCn1c2ccccc2c2ccnc(CN(CCCN3CCNC(=O)C3)[C@H]3CCCc4cccnc34)c12 |r|
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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n/an/a 30n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(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 |r|
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
PDB

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n/an/a 30n/an/an/an/an/a37



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...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
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