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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 4' and Ligand = 'BDBM50305731'   
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))
BDBM50305731
PNG
(CHEMBL604583 | N,4-dimethyl-N-(2-(thiophene-3-carb...)
Show SMILES CN(c1ccccc1C(=O)c1ccsc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H17NO3S2/c1-14-7-9-16(10-8-14)25(22,23)20(2)18-6-4-3-5-17(18)19(21)15-11-12-24-13-15/h3-13H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CXCR4 in human T cells


Bioorg Med Chem Lett 20: 662-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.058
BindingDB Entry DOI: 10.7270/Q2B8586C
More data for this
Ligand-Target Pair