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BDBM50247628 CHEMBL4083415

SMILES: COc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

InChI Key: InChIKey=CCPBQWVTGQTCJX-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50247628   
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))		BDBM50247628
PNG
(CHEMBL4083415)
Show SMILES COc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1
Show InChI InChI=1S/C25H44N10O/c1-36-24-17-23(30-21-9-14-27-15-10-21)31-25(32-24)29-18-22-19-35(34-33-22)16-6-12-26-11-5-13-28-20-7-3-2-4-8-20/h17,19-21,26-28H,2-16,18H2,1H3,(H2,29,30,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC sid
UniChem

Patents

Similars
PubMed
n/an/a 473n/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