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PubMed code 19188071

Compile data set for download or QSAR
Found 2 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))
BDBM50035696
PNG
(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
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UniProtKB/SwissProt

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MCE
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 27.4n/an/an/an/an/an/a



National Institute of Biomedical Imaging and Bioengineering

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human Jurkat cells assessed as inhibition of SDF1-induced cell migration


Bioorg Med Chem 17: 1486-93 (2009)


Article DOI: 10.1016/j.bmc.2009.01.014
BindingDB Entry DOI: 10.7270/Q2930T1T
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50035696
PNG
(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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.52E+4n/an/an/an/an/an/a



National Institute of Biomedical Imaging and Bioengineering

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF1alpha from CXCR4 in human HL60 cells


Bioorg Med Chem 17: 1486-93 (2009)


Article DOI: 10.1016/j.bmc.2009.01.014
BindingDB Entry DOI: 10.7270/Q2930T1T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%