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BDBM50247609 CHEMBL4091201

SMILES: CCc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

InChI Key: InChIKey=GPGXNSNEFVREBV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50247609   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50247609
PNG
(CHEMBL4091201)
Show SMILES CCc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1
Show InChI InChI=1S/C26H46N10/c1-2-21-18-25(31-23-10-15-28-16-11-23)33-26(32-21)30-19-24-20-36(35-34-24)17-7-13-27-12-6-14-29-22-8-4-3-5-9-22/h18,20,22-23,27-29H,2-17,19H2,1H3,(H2,30,31,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 47n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method

J Med Chem 61: 818-833 (2018)


BindingDB Entry DOI: 10.7270/Q2KH0QRM
More data for this
Ligand-Target Pair