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PubMed code 23434419

Compile data set for download or QSAR
Found 13 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


(Homo sapiens (Human))		BDBM50431881
PNG
(CHEMBL2347632 | Spermine tris-1-NapG)
Show SMILES NC(Nc1cccc2ccccc12)=NCCCNCCCCN(CCCN=C(N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12 |w:13.15,26.27|
Show InChI InChI=1S/C43H50N10/c44-41(50-38-23-9-17-32-14-1-4-20-35(32)38)48-28-12-27-47-26-7-8-30-53(43(46)52-40-25-11-19-34-16-3-6-22-37(34)40)31-13-29-49-42(45)51-39-24-10-18-33-15-2-5-21-36(33)39/h1-6,9-11,14-25,47H,7-8,12-13,26-31H2,(H2,46,52)(H3,44,48,50)(H3,45,49,51)
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n/an/a 40n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mi...

Bioorg Med Chem Lett 23: 2197-201 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.107
BindingDB Entry DOI: 10.7270/Q2V1266N
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50431873
PNG
(CHEMBL2347627 | Spermidine bis-2-NapG)
Show SMILES NC(Nc1ccc2ccccc2c1)=NCCCCNCCCN=C(N)Nc1ccc2ccccc2c1 |w:13.15,22.23|
Show InChI InChI=1S/C29H35N7/c30-28(35-26-14-12-22-8-1-3-10-24(22)20-26)33-18-6-5-16-32-17-7-19-34-29(31)36-27-15-13-23-9-2-4-11-25(23)21-27/h1-4,8-15,20-21,32H,5-7,16-19H2,(H3,30,33,35)(H3,31,34,36)
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n/an/a 62n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mi...

Bioorg Med Chem Lett 23: 2197-201 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.107
BindingDB Entry DOI: 10.7270/Q2V1266N
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50431880
PNG
(CHEMBL2347633 | Spermine tris-2-NapG)
Show SMILES NC(Nc1ccc2ccccc2c1)=NCCCNCCCCN(CCCN=C(N)Nc1ccc2ccccc2c1)C(N)=Nc1ccc2ccccc2c1 |w:13.15,26.27,42.46|
Show InChI InChI=1S/C43H50N10/c44-41(50-38-20-17-32-11-1-4-14-35(32)29-38)48-25-9-24-47-23-7-8-27-53(43(46)52-40-22-19-34-13-3-6-16-37(34)31-40)28-10-26-49-42(45)51-39-21-18-33-12-2-5-15-36(33)30-39/h1-6,11-22,29-31,47H,7-10,23-28H2,(H2,46,52)(H3,44,48,50)(H3,45,49,51)
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n/an/a 93n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mi...

Bioorg Med Chem Lett 23: 2197-201 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.107
BindingDB Entry DOI: 10.7270/Q2V1266N
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50431872
PNG
(CHEMBL2347628 | Spermidine tris-1-NapG)
Show SMILES NC(Nc1cccc2ccccc12)=NCCCCN(CCCN=C(N)Nc1cccc2ccccc12)C(N)=Nc1cccc2ccccc12 |w:13.15,22.23,38.42|
Show InChI InChI=1S/C40H43N9/c41-38(46-35-22-9-16-29-13-1-4-19-32(29)35)44-25-7-8-27-49(40(43)48-37-24-11-18-31-15-3-6-21-34(31)37)28-12-26-45-39(42)47-36-23-10-17-30-14-2-5-20-33(30)36/h1-6,9-11,13-24H,7-8,12,25-28H2,(H2,43,48)(H3,41,44,46)(H3,42,45,47)
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n/an/a 110n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mi...

Bioorg Med Chem Lett 23: 2197-201 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.107
BindingDB Entry DOI: 10.7270/Q2V1266N
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50431882
PNG
(CHEMBL2347631 | Spermine bis-2-NapG)
Show SMILES NC(Nc1ccc2ccccc2c1)=NCCCNCCCCNCCCN=C(N)Nc1ccc2ccccc2c1 |w:13.15,26.27|
Show InChI InChI=1S/C32H42N8/c33-31(39-29-15-13-25-9-1-3-11-27(25)23-29)37-21-7-19-35-17-5-6-18-36-20-8-22-38-32(34)40-30-16-14-26-10-2-4-12-28(26)24-30/h1-4,9-16,23-24,35-36H,5-8,17-22H2,(H3,33,37,39)(H3,34,38,40)
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n/an/a 110n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mi...

Bioorg Med Chem Lett 23: 2197-201 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.107
BindingDB Entry DOI: 10.7270/Q2V1266N
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50431870
PNG
(CHEMBL2347630 | Spermine bis-1-NapG)
Show SMILES NC(Nc1cccc2ccccc12)=NCCCNCCCCNCCCN=C(N)Nc1cccc2ccccc12 |w:13.15,26.27|
Show InChI InChI=1S/C32H42N8/c33-31(39-29-17-7-13-25-11-1-3-15-27(25)29)37-23-9-21-35-19-5-6-20-36-22-10-24-38-32(34)40-30-18-8-14-26-12-2-4-16-28(26)30/h1-4,7-8,11-18,35-36H,5-6,9-10,19-24H2,(H3,33,37,39)(H3,34,38,40)
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n/an/a 180n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mi...

Bioorg Med Chem Lett 23: 2197-201 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.107
BindingDB Entry DOI: 10.7270/Q2V1266N
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50431871
PNG
(CHEMBL2347629 | Spermidine tris-2-NapG)
Show SMILES NC(Nc1ccc2ccccc2c1)=NCCCCN(CCCN=C(N)Nc1ccc2ccccc2c1)C(=N)Nc1ccc2ccccc2c1 |w:13.15,22.23|
Show InChI InChI=1S/C40H43N9/c41-38(46-35-19-16-29-10-1-4-13-32(29)26-35)44-22-7-8-24-49(40(43)48-37-21-18-31-12-3-6-15-34(31)28-37)25-9-23-45-39(42)47-36-20-17-30-11-2-5-14-33(30)27-36/h1-6,10-21,26-28H,7-9,22-25H2,(H2,43,48)(H3,41,44,46)(H3,42,45,47)
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n/an/a 190n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mi...

Bioorg Med Chem Lett 23: 2197-201 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.107
BindingDB Entry DOI: 10.7270/Q2V1266N
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50431874
PNG
(CHEMBL2347626 | Spermidine bis-1-NapG)
Show SMILES NC(Nc1cccc2ccccc12)=NCCCCNCCCN=C(N)Nc1cccc2ccccc12 |w:13.15,22.23|
Show InChI InChI=1S/C29H35N7/c30-28(35-26-16-7-12-22-10-1-3-14-24(22)26)33-20-6-5-18-32-19-9-21-34-29(31)36-27-17-8-13-23-11-2-4-15-25(23)27/h1-4,7-8,10-17,32H,5-6,9,18-21H2,(H3,30,33,35)(H3,31,34,36)
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n/an/a 220n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mi...

Bioorg Med Chem Lett 23: 2197-201 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.107
BindingDB Entry DOI: 10.7270/Q2V1266N
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50431877
PNG
(CHEMBL2347623 | Spermidine bis-PheG)
Show SMILES NC(Nc1ccccc1)=NCCCCNCCCN=C(N)Nc1ccccc1 |w:9.10,18.18|
Show InChI InChI=1S/C21H31N7/c22-20(27-18-10-3-1-4-11-18)25-16-8-7-14-24-15-9-17-26-21(23)28-19-12-5-2-6-13-19/h1-6,10-13,24H,7-9,14-17H2,(H3,22,25,27)(H3,23,26,28)
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n/an/a 260n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mi...

Bioorg Med Chem Lett 23: 2197-201 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.107
BindingDB Entry DOI: 10.7270/Q2V1266N
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50431876
PNG
(CHEMBL2347624 | Spermidine tris-PheG)
Show SMILES NC(Nc1ccccc1)=NCCCCN(CCCN=C(N)Nc1ccccc1)C(=N)Nc1ccccc1 |w:9.10,18.18|
Show InChI InChI=1S/C28H37N9/c29-26(34-23-13-4-1-5-14-23)32-19-10-11-21-37(28(31)36-25-17-8-3-9-18-25)22-12-20-33-27(30)35-24-15-6-2-7-16-24/h1-9,13-18H,10-12,19-22H2,(H2,31,36)(H3,29,32,34)(H3,30,33,35)
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n/an/a 280n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mi...

Bioorg Med Chem Lett 23: 2197-201 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.107
BindingDB Entry DOI: 10.7270/Q2V1266N
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50431878
PNG
(CHEMBL2347635 | Spermine tetra-2-NapG)
Show SMILES NC(Nc1ccc2ccccc2c1)=NCCCN(CCCCN(CCCN=C(N)Nc1ccc2ccccc2c1)C(N)=Nc1ccc2ccccc2c1)C(N)=Nc1ccc2ccccc2c1 |w:13.15,26.27,42.46,55.61|
Show InChI InChI=1S/C54H58N12/c55-51(61-47-25-21-39-13-1-5-17-43(39)35-47)59-29-11-33-65(53(57)63-49-27-23-41-15-3-7-19-45(41)37-49)31-9-10-32-66(54(58)64-50-28-24-42-16-4-8-20-46(42)38-50)34-12-30-60-52(56)62-48-26-22-40-14-2-6-18-44(40)36-48/h1-8,13-28,35-38H,9-12,29-34H2,(H2,57,63)(H2,58,64)(H3,55,59,61)(H3,56,60,62)
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n/an/a 300n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mi...

Bioorg Med Chem Lett 23: 2197-201 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.107
BindingDB Entry DOI: 10.7270/Q2V1266N
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50431879
PNG
(CHEMBL2347634 | Spermine tetra-1-NapG)
Show SMILES NC(NCCCN(CCCCN(CCCN=C(N)Nc1cccc2ccccc12)C(N)=Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)=Nc1cccc2ccccc12 |w:15.14,55.61,31.33|
Show InChI InChI=1S/C54H58N12/c55-51(61-47-29-11-21-39-17-1-5-25-43(39)47)59-33-15-37-65(53(57)63-49-31-13-23-41-19-3-7-27-45(41)49)35-9-10-36-66(54(58)64-50-32-14-24-42-20-4-8-28-46(42)50)38-16-34-60-52(56)62-48-30-12-22-40-18-2-6-26-44(40)48/h1-8,11-14,17-32H,9-10,15-16,33-38H2,(H2,57,63)(H2,58,64)(H3,55,59,61)(H3,56,60,62)
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n/an/a 380n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mi...

Bioorg Med Chem Lett 23: 2197-201 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.107
BindingDB Entry DOI: 10.7270/Q2V1266N
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50431875
PNG
(CHEMBL2347625 | Spermine tetra-PheG)
Show SMILES NC(NCCCN(CCCCN(CCCN=C(N)Nc1ccccc1)C(N)=Nc1ccccc1)C(=N)Nc1ccccc1)=Nc1ccccc1 |w:15.14,43.46,27.28|
Show InChI InChI=1S/C38H50N12/c39-35(45-31-17-5-1-6-18-31)43-25-15-29-49(37(41)47-33-21-9-3-10-22-33)27-13-14-28-50(38(42)48-34-23-11-4-12-24-34)30-16-26-44-36(40)46-32-19-7-2-8-20-32/h1-12,17-24H,13-16,25-30H2,(H2,41,47)(H2,42,48)(H3,39,43,45)(H3,40,44,46)
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n/an/a 510n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mi...

Bioorg Med Chem Lett 23: 2197-201 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.107
BindingDB Entry DOI: 10.7270/Q2V1266N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%