BDBM50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162

SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1

InChI Key InChIKey=YIQPUIGJQJDJOS-UHFFFAOYSA-N

Data  2 KI  38 IC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 50035696   

TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataKi:  220nMAssay Description:Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphat...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataKi:  890nMAssay Description:Displacement of [125I]12G5 antibody from human wild type CXCR4 expressed in COS7 cellsMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Université Libre de Bruxelles

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 0.0900nMAssay Description:Displacement of [125I]MCP1 from CCR2/CXCR4 (unknown origin) expressed in CHOK1 cellsMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Université Libre de Bruxelles

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 0.0400nMAssay Description:Displacement of [125I]SDF1alpha from CCR2/CXCR4 (unknown origin) expressed in CHOK1 cellsMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 245nMAssay Description:Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Rattus norvegicus (Rat))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 108nMAssay Description:Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 27.4nMAssay Description:Antagonist activity at CXCR4 in human Jurkat cells assessed as inhibition of SDF1-induced cell migrationMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 1.52E+4nMAssay Description:Displacement of [125I]SDF1alpha from CXCR4 in human HL60 cellsMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 289nMAssay Description:Inhibition of Mab 12G5 binding to wild type CXCR4 expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 6nMAssay Description:Inhibition of PE-conjugated-12G5 anti-CXCR4 antibody binding to CXCR4 in human CEM-CCRF cells preincubated for 30 mins followed by antibody addition ...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 30nMAssay Description:Antagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infectionMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 695nMAssay Description:Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated fo...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 260nMAssay Description:Antagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spec...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 12nMAssay Description:Antagonist activity at CXCR4More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 7nMAssay Description:Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymp...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 74nMAssay Description:Binding affinity to CXCR4More data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 213nMAssay Description:Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 6.20E+3nMAssay Description:Inhibition of anti-CXCR4 PE antibody clone 12G5 binding to CXCR4 in human CCRF-CEM cells preincubated for 30 mins followed by anti-CXCR4 PE antibody ...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 44nMAssay Description:Antagonist activity at CXCR4 (unknown origin)More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 290nMAssay Description:Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysisMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 18nMAssay Description:Antagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds foll...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 1.98E+3nMAssay Description:Inhibition of anti-CXCR4 mAbs clone 1D9 binding to CXCR4 in human SUPT1 cells incubated for 15 mins by FACSMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 39.8nMAssay Description:Inhibition of anti-CXCR4 mAbs clone 173 binding to CXCR4 in human SUPT1 cells incubated for 15 mins by FACSMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 113nMAssay Description:Inhibition of CXCL-12'AF647 binding to CXCR4 in human SUPT1 cells incubated for 15 mins by FACSMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 338nMAssay Description:Antagonist activity against CXCR4 expressed in U87.CD.CXCR4 cells assessed as inhibition of CXCL12-induced calcium signaling incubated for 10 mins by...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 39.8nMAssay Description:Inhibition of anti-CXCR4 mAbs clone 12G5 binding to CXCR4 in human SUPT1 cells incubated for 15 mins by FACSMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 200nMAssay Description:Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 44nMAssay Description:Competitive binding affinity to CXCR4 in human SupT1 cells incubated for 40 mins by 12G5 antibody based fluorescence analysisMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 51nMAssay Description:Competitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence anal...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 65nMAssay Description:Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assayMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 561nMAssay Description:Inhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysisMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 6.10nMAssay Description:Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins f...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 6.10nMAssay Description:Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced calcium signal incubated for 20 mins by FLIPR ass...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 303nMAssay Description:Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cyt...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Rattus norvegicus (Rat))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 100nMAssay Description:A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high ...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Affinity DataIC50: 0.810nMAssay Description:Displacement of [125I]SDF1alpha from CXCR4 (unknown origin) expressed in CHOK1 cellsMore data for this Ligand-Target Pair