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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 = 'BDBM50315288'   
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))
BDBM50315288
PNG
(CHEMBL1092324 | N-[(1H-Benzo[d]imidazol-2-yl)methy...)
Show SMILES NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)cc1
Show InChI InChI=1S/C25H27N5/c26-15-18-10-12-19(13-11-18)16-30(17-24-28-21-7-1-2-8-22(21)29-24)23-9-3-5-20-6-4-14-27-25(20)23/h1-2,4,6-8,10-14,23H,3,5,9,15-17,26H2,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 119n/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