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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 = 'BDBM50286298'   
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))		BDBM50286298
PNG
(CHEMBL4171469)
Show SMILES NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCOc2cccnc12 |r|
Show InChI InChI=1S/C22H30N4O/c23-10-3-4-12-26(20-9-13-27-21-8-5-11-24-22(20)21)16-19-14-17-6-1-2-7-18(17)15-25-19/h1-2,5-8,11,19-20,25H,3-4,9-10,12-16,23H2/t19-,20+/m1/s1
PDB

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PubMed
n/an/a 6n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1...

ACS Med Chem Lett 9: 17-22 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00381
BindingDB Entry DOI: 10.7270/Q2NG4T6G
More data for this
Ligand-Target Pair