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  41 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50035696   

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

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
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
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
Soochow University

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
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
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
Soochow University

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
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
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
Soochow University

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
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
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
Soochow University

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
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
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
Soochow University

Curated by ChEMBL
LigandPNGBDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
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
In DepthDetails ArticlePubMed