new BindingDB logo
myBDB logout

BDBM50315299 CHEMBL1092302::N1-(1H-Benzo[d]imidazol-2-ylmethyl)-N4-methyl-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine

SMILES: CNCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12

InChI Key: InChIKey=NFSWESOWDXVPBY-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 = 50315299   
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 (CXCR4)


(Homo sapiens (Human))
BDBM50315299
PNG
(CHEMBL1092302 | N1-(1H-Benzo[d]imidazol-2-ylmethyl...)
Show SMILES CNCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show InChI InChI=1S/C22H29N5/c1-23-13-4-5-15-27(16-21-25-18-10-2-3-11-19(18)26-21)20-12-6-8-17-9-7-14-24-22(17)20/h2-3,7,9-11,14,20,23H,4-6,8,12-13,15-16H2,1H3,(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux


J Med Chem 53: 3376-88 (2010)


Article DOI: 10.1021/jm100073m
BindingDB Entry DOI: 10.7270/Q2GQ6XW9
More data for this
Ligand-Target Pair