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PubMed code 21295470

Compile data set for download or QSAR
Found 27 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))
BDBM50337581
PNG
(CHEMBL1682993 | rac-N1-(1-(4-Methylpyridin-2-yl)et...)
Show SMILES CC(N(CCCCN)Cc1ncccc1C)c1cc(C)ccn1
Show InChI InChI=1S/C19H28N4/c1-15-8-11-22-18(13-15)17(3)23(12-5-4-9-20)14-19-16(2)7-6-10-21-19/h6-8,10-11,13,17H,4-5,9,12,14,20H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337584
PNG
((S)-N1-((3-aminopyridin-2-yl)methyl)-N1-(5,6,7,8-t...)
Show SMILES NCCCCN(Cc1ncccc1N)[C@H]1CCCc2cccnc12 |r|
Show InChI InChI=1S/C19H27N5/c20-10-1-2-13-24(14-17-16(21)8-5-11-22-17)18-9-3-6-15-7-4-12-23-19(15)18/h4-5,7-8,11-12,18H,1-3,6,9-10,13-14,20-21H2/t18-/m0/s1
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n/an/a 10.9n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337585
PNG
((S)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(1-(p...)
Show SMILES C[C@H](N(CCCCN)Cc1nc2ccccc2[nH]1)c1ccccn1 |r|
Show InChI InChI=1S/C19H25N5/c1-15(16-8-4-6-12-21-16)24(13-7-5-11-20)14-19-22-17-9-2-3-10-18(17)23-19/h2-4,6,8-10,12,15H,5,7,11,13-14,20H2,1H3,(H,22,23)/t15-/m0/s1
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n/an/a 16.6n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337561
PNG
(CHEMBL1682854 | rac-N1-(3-methylpyridin-2-ylmethyl...)
Show SMILES Cc1cccnc1CN(CCCCN)C1CCCc2cccnc12
Show InChI InChI=1S/C20H28N4/c1-16-7-5-12-22-18(16)15-24(14-3-2-11-21)19-10-4-8-17-9-6-13-23-20(17)19/h5-7,9,12-13,19H,2-4,8,10-11,14-15,21H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337577
PNG
(CHEMBL1682989 | rac-N1-(3-iso-Butylpyridin-2-ylmet...)
Show SMILES CC(N(CCCCN)Cc1ncccc1C(C)(C)C)c1ccccn1
Show InChI InChI=1S/C21H32N4/c1-17(19-11-5-7-13-23-19)25(15-8-6-12-22)16-20-18(21(2,3)4)10-9-14-24-20/h5,7,9-11,13-14,17H,6,8,12,15-16,22H2,1-4H3
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n/an/a 18n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337566
PNG
(CHEMBL1682859 | rac-N'-(3,5-Dimethylpyridin-2-ylme...)
Show SMILES Cc1cnc(CN(CCCCN)C2CCCc3cccnc23)c(C)c1
Show InChI InChI=1S/C21H30N4/c1-16-13-17(2)19(24-14-16)15-25(12-4-3-10-22)20-9-5-7-18-8-6-11-23-21(18)20/h6,8,11,13-14,20H,3-5,7,9-10,12,15,22H2,1-2H3
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n/an/a 19n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337580
PNG
(CHEMBL1682992 | rac-N1-(3,5-dimethylpyridin-2-ylme...)
Show SMILES CC(N(CCCCN)Cc1ncc(C)cc1C)c1ccccn1
Show InChI InChI=1S/C19H28N4/c1-15-12-16(2)19(22-13-15)14-23(11-7-5-9-20)17(3)18-8-4-6-10-21-18/h4,6,8,10,12-13,17H,5,7,9,11,14,20H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337574
PNG
(CHEMBL1682986 | racN1-(3-Methylpyridin-2-ylmethyl)...)
Show SMILES CC(N(CCCCN)Cc1ncccc1C)c1ccccn1
Show InChI InChI=1S/C18H26N4/c1-15-8-7-12-21-18(15)14-22(13-6-4-10-19)16(2)17-9-3-5-11-20-17/h3,5,7-9,11-12,16H,4,6,10,13-14,19H2,1-2H3
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n/an/a 23n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337570
PNG
(CHEMBL1682863 | rac-N1-(3-Aminopyridin-2-ylmethyl)...)
Show SMILES NCCCCN(Cc1ncccc1N)C1CCCc2cccnc12
Show InChI InChI=1S/C19H27N5/c20-10-1-2-13-24(14-17-16(21)8-5-11-22-17)18-9-3-6-15-7-4-12-23-19(15)18/h4-5,7-8,11-12,18H,1-3,6,9-10,13-14,20-21H2
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n/an/a 27n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337563
PNG
(CHEMBL1682856 | rac-N1-(4-Methylpyridin-2-ylmethyl...)
Show SMILES Cc1ccc(CN(CCCCN)C2CCCc3cccnc23)nc1
Show InChI InChI=1S/C20H28N4/c1-16-9-10-18(23-14-16)15-24(13-3-2-11-21)19-8-4-6-17-7-5-12-22-20(17)19/h5,7,9-10,12,14,19H,2-4,6,8,11,13,15,21H2,1H3
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n/an/a 35n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337586
PNG
((S)-N1-((3-methylpyridin-2-yl)methyl)-N1-(1-(pyrid...)
Show SMILES C[C@H](N(CCCCN)Cc1ncccc1C)c1ccccn1 |r|
Show InChI InChI=1S/C18H26N4/c1-15-8-7-12-21-18(15)14-22(13-6-4-10-19)16(2)17-9-3-5-11-20-17/h3,5,7-9,11-12,16H,4,6,10,13-14,19H2,1-2H3/t16-/m0/s1
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n/an/a 35.8n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337565
PNG
(CHEMBL1682858 | rac-N1-((4,6-dimethylpyridin-2-yl)...)
Show SMILES Cc1cc(C)nc(CN(CCCCN)C2CCCc3cccnc23)c1
Show InChI InChI=1S/C21H30N4/c1-16-13-17(2)24-19(14-16)15-25(12-4-3-10-22)20-9-5-7-18-8-6-11-23-21(18)20/h6,8,11,13-14,20H,3-5,7,9-10,12,15,22H2,1-2H3
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Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337573
PNG
(CHEMBL1682866 | racN1-(3-chloropyridin-2-ylmethyl)...)
Show SMILES NCCCCN(Cc1ncccc1Cl)C1CCCc2cccnc12
Show InChI InChI=1S/C19H25ClN4/c20-16-8-5-11-22-17(16)14-24(13-2-1-10-21)18-9-3-6-15-7-4-12-23-19(15)18/h4-5,7-8,11-12,18H,1-3,6,9-10,13-14,21H2
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n/an/a 44n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337567
PNG
(CHEMBL1682860 | rac-N1-(6-aminopyridin-2-ylmethyl)...)
Show SMILES NCCCCN(Cc1cccc(N)n1)C1CCCc2cccnc12
Show InChI InChI=1S/C19H27N5/c20-11-1-2-13-24(14-16-8-4-10-18(21)23-16)17-9-3-6-15-7-5-12-22-19(15)17/h4-5,7-8,10,12,17H,1-3,6,9,11,13-14,20H2,(H2,21,23)
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n/an/a 49n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337564
PNG
(CHEMBL1682857 | rac-N1-(6-Methylpyridin-2-ylmethyl...)
Show SMILES Cc1cccc(CN(CCCCN)C2CCCc3cccnc23)n1
Show InChI InChI=1S/C20H28N4/c1-16-7-4-10-18(23-16)15-24(14-3-2-12-21)19-11-5-8-17-9-6-13-22-20(17)19/h4,6-7,9-10,13,19H,2-3,5,8,11-12,14-15,21H2,1H3
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Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337583
PNG
((S)-N1-((3,5-dimethylpyridin-2-yl)methyl)-N1-(5,6,...)
Show SMILES Cc1cnc(CN(CCCCN)[C@H]2CCCc3cccnc23)c(C)c1 |r|
Show InChI InChI=1S/C21H30N4/c1-16-13-17(2)19(24-14-16)15-25(12-4-3-10-22)20-9-5-7-18-8-6-11-23-21(18)20/h6,8,11,13-14,20H,3-5,7,9-10,12,15,22H2,1-2H3/t20-/m0/s1
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n/an/a 62.9n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337571
PNG
(CHEMBL1682864 | rac-N1-(3-isopropylpyridin-2-ylmet...)
Show SMILES CC(C)c1cccnc1CN(CCCCN)C1CCCc2cccnc12
Show InChI InChI=1S/C22H32N4/c1-17(2)19-10-7-13-24-20(19)16-26(15-4-3-12-23)21-11-5-8-18-9-6-14-25-22(18)21/h6-7,9-10,13-14,17,21H,3-5,8,11-12,15-16,23H2,1-2H3
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Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337578
PNG
(CHEMBL1682990 | rac-N1-((5-methylpyridin-2-yl)meth...)
Show SMILES CC(N(CCCCN)Cc1ccc(C)cn1)c1ccccn1
Show InChI InChI=1S/C18H26N4/c1-15-8-9-17(21-13-15)14-22(12-6-4-10-19)16(2)18-7-3-5-11-20-18/h3,5,7-9,11,13,16H,4,6,10,12,14,19H2,1-2H3
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Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337575
PNG
(CHEMBL1682987 | rac-N1-((3-aminopyridin-2-yl)methy...)
Show SMILES CC(N(CCCCN)Cc1ncccc1N)c1ccccn1
Show InChI InChI=1S/C17H25N5/c1-14(16-8-2-4-10-20-16)22(12-5-3-9-18)13-17-15(19)7-6-11-21-17/h2,4,6-8,10-11,14H,3,5,9,12-13,18-19H2,1H3
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n/an/a 72n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337560
PNG
((+/-)-N1-(pyridine-2-ylmethyl)-N1-(5,6,7,8-tetrahy...)
Show SMILES NCCCCN(Cc1ccccn1)C1CCCc2cccnc12
Show InChI InChI=1S/C19H26N4/c20-11-2-4-14-23(15-17-9-1-3-12-21-17)18-10-5-7-16-8-6-13-22-19(16)18/h1,3,6,8-9,12-13,18H,2,4-5,7,10-11,14-15,20H2
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PubMed
n/an/a 74n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337572
PNG
(CHEMBL1682865 | rac-(2-(((4-Aminobutyl)-(5,6,7,8-t...)
Show SMILES NCCCCN(Cc1ncccc1CO)C1CCCc2cccnc12
Show InChI InChI=1S/C20H28N4O/c21-10-1-2-13-24(14-18-17(15-25)8-5-11-22-18)19-9-3-6-16-7-4-12-23-20(16)19/h4-5,7-8,11-12,19,25H,1-3,6,9-10,13-15,21H2
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PubMed
n/an/a 79n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337562
PNG
(CHEMBL1682855 | rac-N1-((4-methylpyridin-2-yl)meth...)
Show SMILES Cc1ccnc(CN(CCCCN)C2CCCc3cccnc23)c1
Show InChI InChI=1S/C20H28N4/c1-16-9-12-22-18(14-16)15-24(13-3-2-10-21)19-8-4-6-17-7-5-11-23-20(17)19/h5,7,9,11-12,14,19H,2-4,6,8,10,13,15,21H2,1H3
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n/an/a 91n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337582
PNG
((S)-N1-((6-methylpyridin-2-yl)methyl)-N1-(5,6,7,8-...)
Show SMILES Cc1cccc(CN(CCCCN)[C@H]2CCCc3cccnc23)n1 |r|
Show InChI InChI=1S/C20H28N4/c1-16-7-4-10-18(23-16)15-24(14-3-2-12-21)19-11-5-8-17-9-6-13-22-20(17)19/h4,6-7,9-10,13,19H,2-3,5,8,11-12,14-15,21H2,1H3/t19-/m0/s1
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n/an/a 96.1n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337576
PNG
(CHEMBL1682988 | rac-N1-(1-(pyridin-2-yl)ethyl)-N1-...)
Show SMILES CC(N(CCCCN)Cc1ncccc1C(F)(F)F)c1ccccn1
Show InChI InChI=1S/C18H23F3N4/c1-14(16-8-2-4-10-23-16)25(12-5-3-9-22)13-17-15(18(19,20)21)7-6-11-24-17/h2,4,6-8,10-11,14H,3,5,9,12-13,22H2,1H3
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n/an/a 111n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337569
PNG
(CHEMBL1682862 | rac-2-(((4-aminobutyl)(5,6,7,8-tet...)
Show SMILES NCCCCN(Cc1ncccc1O)C1CCCc2cccnc12
Show InChI InChI=1S/C19H26N4O/c20-10-1-2-13-23(14-16-18(24)9-5-11-21-16)17-8-3-6-15-7-4-12-22-19(15)17/h4-5,7,9,11-12,17,24H,1-3,6,8,10,13-14,20H2
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n/an/a 129n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337579
PNG
(CHEMBL1682991 | rac-N1-((6-methylpyridin-2-yl)meth...)
Show SMILES CC(N(CCCCN)Cc1cccc(C)n1)c1ccccn1
Show InChI InChI=1S/C18H26N4/c1-15-8-7-9-17(21-15)14-22(13-6-4-11-19)16(2)18-10-3-5-12-20-18/h3,5,7-10,12,16H,4,6,11,13-14,19H2,1-2H3
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n/an/a 183n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50337568
PNG
(CHEMBL1682861 | rac-N1-((6-(methoxymethyl)pyridin-...)
Show SMILES COCc1cccc(CN(CCCCN)C2CCCc3cccnc23)n1
Show InChI InChI=1S/C21H30N4O/c1-26-16-19-10-5-9-18(24-19)15-25(14-3-2-12-22)20-11-4-7-17-8-6-13-23-21(17)20/h5-6,8-10,13,20H,2-4,7,11-12,14-16,22H2,1H3
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n/an/a 1.62E+3n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%