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BDBM50315294 CHEMBL1093302::N1-(1H-Benzo[d]imidazol-2-ylmethyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)ethane-1,2-diamine

SMILES: NCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12

InChI Key: InChIKey=LGYLONLVNWTPCP-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50315294   
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))
BDBM50315294
PNG
(CHEMBL1093302 | N1-(1H-Benzo[d]imidazol-2-ylmethyl...)
Show SMILES NCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show InChI InChI=1S/C19H23N5/c20-10-12-24(13-18-22-15-7-1-2-8-16(15)23-18)17-9-3-5-14-6-4-11-21-19(14)17/h1-2,4,6-8,11,17H,3,5,9-10,12-13,20H2,(H,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.37E+3n/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