BindingDB logo
myBDB logout

BDBM50247632 CHEMBL4081892

SMILES: Cc1cc(NC2CCN(CC2)C(=O)CCNCP(O)(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

InChI Key: InChIKey=JCJRGCUSAKXWQO-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50247632   
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))		BDBM50247632
PNG
(CHEMBL4081892)
Show SMILES Cc1cc(NC2CCN(CC2)C(=O)CCNCP(O)(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1
Show InChI InChI=1S/C29H52N11O4P/c1-23-19-27(35-25-10-17-39(18-11-25)28(41)9-15-31-22-45(42,43)44)36-29(34-23)33-20-26-21-40(38-37-26)16-6-13-30-12-5-14-32-24-7-3-2-4-8-24/h19,21,24-25,30-32H,2-18,20,22H2,1H3,(H2,42,43,44)(H2,33,34,35,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 92n/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