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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 = 'BDBM50315300'   
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))
BDBM50315300
PNG
(5-(((1H-Benzo[d]imidazol-2-yl)methyl)(5,6,7,8-tetr...)
Show SMILES N#CCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show InChI InChI=1S/C22H25N5/c23-13-4-1-5-15-27(16-21-25-18-10-2-3-11-19(18)26-21)20-12-6-8-17-9-7-14-24-22(17)20/h2-3,7,9-11,14,20H,1,4-6,8,12,15-16H2,(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 442n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux


J Med Chem 53: 3376-88 (2010)


Article DOI: 10.1021/jm100073m
BindingDB Entry DOI: 10.7270/Q2GQ6XW9
More data for this
Ligand-Target Pair