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SMILES: Cc1cc(NC2CCN(CCC(N)=O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

InChI Key: InChIKey=LTSNCDRMCFISRZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50247631   
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))		BDBM50247631
PNG
(CHEMBL4060426)
Show SMILES Cc1cc(NC2CCN(CCC(N)=O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1
Show InChI InChI=1S/C28H49N11O/c1-22-19-27(34-24-9-16-38(17-10-24)18-11-26(29)40)35-28(33-22)32-20-25-21-39(37-36-25)15-6-13-30-12-5-14-31-23-7-3-2-4-8-23/h19,21,23-24,30-31H,2-18,20H2,1H3,(H2,29,40)(H2,32,33,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 26n/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)


Article DOI: 10.1021/acs.jmedchem.7b01322
BindingDB Entry DOI: 10.7270/Q2KH0QRM
More data for this
Ligand-Target Pair