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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 (CXCR4)' and Ligand = 'BDBM50314758'   
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))
BDBM50314758
PNG
((S)-N-((1-(((S)-1-isopropylpiperidin-3-yl)methyl)-...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(CN(C)[C@H]3CCCc4cccnc34)nc3ccccc23)C1
Show InChI InChI=1S/C27H37N5/c1-20(2)31-16-8-9-21(17-31)18-32-24-13-5-4-12-23(24)29-26(32)19-30(3)25-14-6-10-22-11-7-15-28-27(22)25/h4-5,7,11-13,15,20-21,25H,6,8-10,14,16-19H2,1-3H3/t21-,25-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CXCR4


Bioorg Med Chem Lett 20: 2125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.053
BindingDB Entry DOI: 10.7270/Q2ZW1M20
More data for this
Ligand-Target Pair