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BDBM50315289 CHEMBL1088867::N-[(1H-Benzo[d]midazol-2-yl)methyl]-N-(3-(aminomethyl)benzyl)-5,6,7,8-tetrahydroquinolin-8-amine

SMILES: NCc1cccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c1

InChI Key: InChIKey=IQFJZKSDDHHGJU-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 = 50315289   
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))
BDBM50315289
PNG
(CHEMBL1088867 | N-[(1H-Benzo[d]midazol-2-yl)methyl...)
Show SMILES NCc1cccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c1
Show InChI InChI=1S/C25H27N5/c26-15-18-6-3-7-19(14-18)16-30(17-24-28-21-10-1-2-11-22(21)29-24)23-12-4-8-20-9-5-13-27-25(20)23/h1-3,5-7,9-11,13-14,23H,4,8,12,15-17,26H2,(H,28,29)
UniProtKB/SwissProt

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PC sid
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Similars

Article
PubMed
n/an/a 1.40E+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)

More data for this
Ligand-Target Pair