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BDBM50247621 CHEMBL4078499

SMILES: CCCN1CCC(CC1)Nc1cc(C)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

InChI Key: InChIKey=BBNJJAKFTQZFTI-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50247621   
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))		BDBM50247621
PNG
(CHEMBL4078499)
Show SMILES CCCN1CCC(CC1)Nc1cc(C)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1
Show InChI InChI=1S/C28H50N10/c1-3-16-37-18-11-25(12-19-37)33-27-20-23(2)32-28(34-27)31-21-26-22-38(36-35-26)17-8-14-29-13-7-15-30-24-9-5-4-6-10-24/h20,22,24-25,29-30H,3-19,21H2,1-2H3,(H2,31,32,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 48n/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