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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 = 'BDBM50315297'   
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))
BDBM50315297
PNG
(CHEMBL1088916 | N1-(1H-Benzo[d]imidazol-2-ylmethyl...)
Show SMILES NCCCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show InChI InChI=1S/C23H31N5/c24-14-5-1-2-6-16-28(17-22-26-19-11-3-4-12-20(19)27-22)21-13-7-9-18-10-8-15-25-23(18)21/h3-4,8,10-12,15,21H,1-2,5-7,9,13-14,16-17,24H2,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 75n/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