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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50032733   
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))
BDBM50333890
PNG
(CHEMBL1644092 | N-((1H-benzo[d]imidazol-2-yl)methy...)
Show SMILES NCc1ncoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show InChI InChI=1S/C22H24N6O/c23-11-18-20(29-14-25-18)12-28(13-21-26-16-7-1-2-8-17(16)27-21)19-9-3-5-15-6-4-10-24-22(15)19/h1-2,4,6-8,10,14,19H,3,5,9,11-13,23H2,(H,26,27)
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n/an/a 1.30n/an/an/an/an/an/a



Genzyme Corp

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling


Bioorg Med Chem Lett 21: 262-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.023
BindingDB Entry DOI: 10.7270/Q21N81D9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50333882
PNG
(4-((((1H-benzo[d]imidazol-2-yl)methyl)(5,6,7,8-tet...)
Show SMILES CO\N=C\c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c(CN)c1
Show InChI InChI=1S/C27H30N6O/c1-34-30-16-19-11-12-21(22(14-19)15-28)17-33(18-26-31-23-8-2-3-9-24(23)32-26)25-10-4-6-20-7-5-13-29-27(20)25/h2-3,5,7-9,11-14,16,25H,4,6,10,15,17-18,28H2,1H3,(H,31,32)/b30-16+
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n/an/a 5n/an/an/an/an/an/a



Genzyme Corp

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling


Bioorg Med Chem Lett 21: 262-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.023
BindingDB Entry DOI: 10.7270/Q21N81D9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50333893
PNG
(CHEMBL1644072 | N-((1H-benzo[d]imidazol-2-yl)methy...)
Show SMILES COc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c(CN)c1
Show InChI InChI=1S/C26H29N5O/c1-32-21-12-11-19(20(14-21)15-27)16-31(17-25-29-22-8-2-3-9-23(22)30-25)24-10-4-6-18-7-5-13-28-26(18)24/h2-3,5,7-9,11-14,24H,4,6,10,15-17,27H2,1H3,(H,29,30)
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n/an/a 5n/an/an/an/an/an/a



Genzyme Corp

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling


Bioorg Med Chem Lett 21: 262-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.023
BindingDB Entry DOI: 10.7270/Q21N81D9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50333894
PNG
(CHEMBL1644073 | [4-((((1H-benzo[d]imidazol-2-yl)me...)
Show SMILES NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c(CN)c1
Show InChI InChI=1S/C26H30N6/c27-14-18-10-11-20(21(13-18)15-28)16-32(17-25-30-22-7-1-2-8-23(22)31-25)24-9-3-5-19-6-4-12-29-26(19)24/h1-2,4,6-8,10-13,24H,3,5,9,14-17,27-28H2,(H,30,31)
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n/an/a 10n/an/an/an/an/an/a



Genzyme Corp

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling


Bioorg Med Chem Lett 21: 262-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.023
BindingDB Entry DOI: 10.7270/Q21N81D9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50333895
PNG
(CHEMBL1644074 | [4-((((1H-benzo[d]imidazol-2-yl)me...)
Show SMILES NCc1cc(CO)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show InChI InChI=1S/C26H29N5O/c27-14-21-13-18(17-32)10-11-20(21)15-31(16-25-29-22-7-1-2-8-23(22)30-25)24-9-3-5-19-6-4-12-28-26(19)24/h1-2,4,6-8,10-13,24,32H,3,5,9,14-17,27H2,(H,29,30)
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n/an/a 11n/an/an/an/an/an/a



Genzyme Corp

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling


Bioorg Med Chem Lett 21: 262-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.023
BindingDB Entry DOI: 10.7270/Q21N81D9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50333888
PNG
(CHEMBL1644088 | N-((1H-benzo[d]imidazol-2-yl)methy...)
Show SMILES NCc1ccoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show InChI InChI=1S/C23H25N5O/c24-13-17-10-12-29-21(17)14-28(15-22-26-18-7-1-2-8-19(18)27-22)20-9-3-5-16-6-4-11-25-23(16)20/h1-2,4,6-8,10-12,20H,3,5,9,13-15,24H2,(H,26,27)
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n/an/a 12n/an/an/an/an/an/a



Genzyme Corp

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling


Bioorg Med Chem Lett 21: 262-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.023
BindingDB Entry DOI: 10.7270/Q21N81D9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50333884
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-(ami...)
Show SMILES NCc1cscc1N(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C22H23N5S/c23-11-16-13-28-14-20(16)27(12-21-25-17-7-1-2-8-18(17)26-21)19-9-3-5-15-6-4-10-24-22(15)19/h1-2,4,6-8,10,13-14,19H,3,5,9,11-12,23H2,(H,25,26)/t19-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Genzyme Corp

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling


Bioorg Med Chem Lett 21: 262-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.023
BindingDB Entry DOI: 10.7270/Q21N81D9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50333881
PNG
(4-((((1H-benzo[d]imidazol-2-yl)methyl)(5,6,7,8-tet...)
Show SMILES NCc1cc(ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12)C(N)=O
Show InChI InChI=1S/C26H28N6O/c27-14-20-13-18(26(28)33)10-11-19(20)15-32(16-24-30-21-7-1-2-8-22(21)31-24)23-9-3-5-17-6-4-12-29-25(17)23/h1-2,4,6-8,10-13,23H,3,5,9,14-16,27H2,(H2,28,33)(H,30,31)
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n/an/a 15n/an/an/an/an/an/a



Genzyme Corp

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling


Bioorg Med Chem Lett 21: 262-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.023
BindingDB Entry DOI: 10.7270/Q21N81D9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50333883
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-((2-(am...)
Show SMILES NCc1ncccc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C24H26N6/c25-14-21-18(8-5-12-26-21)15-30(16-23-28-19-9-1-2-10-20(19)29-23)22-11-3-6-17-7-4-13-27-24(17)22/h1-2,4-5,7-10,12-13,22H,3,6,11,14-16,25H2,(H,28,29)/t22-/m0/s1
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n/an/a 19.8n/an/an/an/an/an/a



Genzyme Corp

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1 from CXCR4 in human CEM-CCRF cells expressing CD4 by liquid scintillation counting


Bioorg Med Chem Lett 21: 262-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.023
BindingDB Entry DOI: 10.7270/Q21N81D9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50333883
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-((2-(am...)
Show SMILES NCc1ncccc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C24H26N6/c25-14-21-18(8-5-12-26-21)15-30(16-23-28-19-9-1-2-10-20(19)29-23)22-11-3-6-17-7-4-13-27-24(17)22/h1-2,4-5,7-10,12-13,22H,3,6,11,14-16,25H2,(H,28,29)/t22-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Genzyme Corp

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling


Bioorg Med Chem Lett 21: 262-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.023
BindingDB Entry DOI: 10.7270/Q21N81D9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50333896
PNG
(CHEMBL1644075 | N-((1H-benzo[d]imidazol-2-yl)methy...)
Show SMILES COCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c(CN)c1
Show InChI InChI=1S/C27H31N5O/c1-33-18-19-11-12-21(22(14-19)15-28)16-32(17-26-30-23-8-2-3-9-24(23)31-26)25-10-4-6-20-7-5-13-29-27(20)25/h2-3,5,7-9,11-14,25H,4,6,10,15-18,28H2,1H3,(H,30,31)
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n/an/a 21n/an/an/an/an/an/a



Genzyme Corp

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling


Bioorg Med Chem Lett 21: 262-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.023
BindingDB Entry DOI: 10.7270/Q21N81D9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50333889
PNG
(CHEMBL1644089 | N-((1H-benzo[d]imidazol-2-yl)methy...)
Show SMILES NCc1occc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show InChI InChI=1S/C23H25N5O/c24-13-21-17(10-12-29-21)14-28(15-22-26-18-7-1-2-8-19(18)27-22)20-9-3-5-16-6-4-11-25-23(16)20/h1-2,4,6-8,10-12,20H,3,5,9,13-15,24H2,(H,26,27)
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n/an/a 21n/an/an/an/an/an/a



Genzyme Corp

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling


Bioorg Med Chem Lett 21: 262-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.023
BindingDB Entry DOI: 10.7270/Q21N81D9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50333885
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-(ami...)
Show SMILES NCc1cocc1N(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C22H23N5O/c23-11-16-13-28-14-20(16)27(12-21-25-17-7-1-2-8-18(17)26-21)19-9-3-5-15-6-4-10-24-22(15)19/h1-2,4,6-8,10,13-14,19H,3,5,9,11-12,23H2,(H,25,26)/t19-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Genzyme Corp

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling


Bioorg Med Chem Lett 21: 262-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.023
BindingDB Entry DOI: 10.7270/Q21N81D9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50315290
PNG
(CHEMBL1093008 | N-[(1H-Benzo[d]midazol-2-yl)methyl...)
Show SMILES NCc1ccccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show InChI InChI=1S/C25H27N5/c26-15-19-7-1-2-8-20(19)16-30(17-24-28-21-11-3-4-12-22(21)29-24)23-13-5-9-18-10-6-14-27-25(18)23/h1-4,6-8,10-12,14,23H,5,9,13,15-17,26H2,(H,28,29)
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n/an/a 28n/an/an/an/an/an/a



Genzyme Corp

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling


Bioorg Med Chem Lett 21: 262-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.023
BindingDB Entry DOI: 10.7270/Q21N81D9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50333898
PNG
(CHEMBL1644077 | Methyl-4-((((1H-benzo[d]imidazol-2...)
Show SMILES COC(=O)c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c(CN)c1
Show InChI InChI=1S/C27H29N5O2/c1-34-27(33)19-11-12-20(21(14-19)15-28)16-32(17-25-30-22-8-2-3-9-23(22)31-25)24-10-4-6-18-7-5-13-29-26(18)24/h2-3,5,7-9,11-14,24H,4,6,10,15-17,28H2,1H3,(H,30,31)
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n/an/a 39n/an/an/an/an/an/a



Genzyme Corp

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling


Bioorg Med Chem Lett 21: 262-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.023
BindingDB Entry DOI: 10.7270/Q21N81D9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50333885
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-(ami...)
Show SMILES NCc1cocc1N(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C22H23N5O/c23-11-16-13-28-14-20(16)27(12-21-25-17-7-1-2-8-18(17)26-21)19-9-3-5-15-6-4-10-24-22(15)19/h1-2,4,6-8,10,13-14,19H,3,5,9,11-12,23H2,(H,25,26)/t19-/m0/s1
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n/an/a 44.5n/an/an/an/an/an/a



Genzyme Corp

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1 from CXCR4 in human CEM-CCRF cells expressing CD4 by liquid scintillation counting


Bioorg Med Chem Lett 21: 262-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.023
BindingDB Entry DOI: 10.7270/Q21N81D9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50333892
PNG
(CHEMBL1644071 | N-((1H-benzo[d]imidazol-2-yl)methy...)
Show SMILES NCc1cc(ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12)C(F)(F)F
Show InChI InChI=1S/C26H26F3N5/c27-26(28,29)20-11-10-18(19(13-20)14-30)15-34(16-24-32-21-7-1-2-8-22(21)33-24)23-9-3-5-17-6-4-12-31-25(17)23/h1-2,4,6-8,10-13,23H,3,5,9,14-16,30H2,(H,32,33)
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n/an/a 51n/an/an/an/an/an/a



Genzyme Corp

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling


Bioorg Med Chem Lett 21: 262-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.023
BindingDB Entry DOI: 10.7270/Q21N81D9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50333887
PNG
(CHEMBL1644085 | N-((1H-benzo[d]imidazol-2-yl)methy...)
Show SMILES NCc1sccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show InChI InChI=1S/C23H25N5S/c24-13-21-17(10-12-29-21)14-28(15-22-26-18-7-1-2-8-19(18)27-22)20-9-3-5-16-6-4-11-25-23(16)20/h1-2,4,6-8,10-12,20H,3,5,9,13-15,24H2,(H,26,27)
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n/an/a 60n/an/an/an/an/an/a



Genzyme Corp

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling


Bioorg Med Chem Lett 21: 262-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.023
BindingDB Entry DOI: 10.7270/Q21N81D9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50333884
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-(ami...)
Show SMILES NCc1cscc1N(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C22H23N5S/c23-11-16-13-28-14-20(16)27(12-21-25-17-7-1-2-8-18(17)26-21)19-9-3-5-15-6-4-10-24-22(15)19/h1-2,4,6-8,10,13-14,19H,3,5,9,11-12,23H2,(H,25,26)/t19-/m0/s1
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n/an/a 88.9n/an/an/an/an/an/a



Genzyme Corp

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1 from CXCR4 in human CEM-CCRF cells expressing CD4 by liquid scintillation counting


Bioorg Med Chem Lett 21: 262-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.023
BindingDB Entry DOI: 10.7270/Q21N81D9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50333897
PNG
(4-((((1H-benzo[d]imidazole-2-yl)methyl)(5,6,7,8-te...)
Show SMILES NCc1cc(ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12)C(O)=O
Show InChI InChI=1S/C26H27N5O2/c27-14-20-13-18(26(32)33)10-11-19(20)15-31(16-24-29-21-7-1-2-8-22(21)30-24)23-9-3-5-17-6-4-12-28-25(17)23/h1-2,4,6-8,10-13,23H,3,5,9,14-16,27H2,(H,29,30)(H,32,33)
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n/an/a 126n/an/an/an/an/an/a



Genzyme Corp

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling


Bioorg Med Chem Lett 21: 262-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.023
BindingDB Entry DOI: 10.7270/Q21N81D9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50333886
PNG
(CHEMBL1644083 | N-((1H-benzo[d]imidazol-2-yl)methy...)
Show SMILES NCc1ccncc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show InChI InChI=1S/C24H26N6/c25-13-18-10-12-26-14-19(18)15-30(16-23-28-20-7-1-2-8-21(20)29-23)22-9-3-5-17-6-4-11-27-24(17)22/h1-2,4,6-8,10-12,14,22H,3,5,9,13,15-16,25H2,(H,28,29)
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n/an/a 160n/an/an/an/an/an/a



Genzyme Corp

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling


Bioorg Med Chem Lett 21: 262-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.023
BindingDB Entry DOI: 10.7270/Q21N81D9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50333891
PNG
(CHEMBL1644070 | N-((1H-benzo[d]imidazol-2-yl)methy...)
Show SMILES NCc1cc(F)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show InChI InChI=1S/C25H26FN5/c26-20-11-10-18(19(13-20)14-27)15-31(16-24-29-21-7-1-2-8-22(21)30-24)23-9-3-5-17-6-4-12-28-25(17)23/h1-2,4,6-8,10-13,23H,3,5,9,14-16,27H2,(H,29,30)
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n/an/a 219n/an/an/an/an/an/a



Genzyme Corp

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling


Bioorg Med Chem Lett 21: 262-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.023
BindingDB Entry DOI: 10.7270/Q21N81D9
More data for this
Ligand-Target Pair