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BDBM194542 US9205085, MSX- 170

InChI string: InChI=1S/C22H24N2/c1-3-7-21(8-4-1)23-17-15-19-11-13-20(14-12-19)16-18-24-22-9-5-2-6-10-22/h1-14,23-24H,15-18H2

SMILES: C(Cc1ccc(CCNc2ccccc2)cc1)Nc1ccccc1

InChI Key: InChIKey=KYUOJDGFIHKBIW-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 = 194542   
Target
(Institution)
LigandTarget
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/SDF-1)


(Rattus norvegicus (Rat))
BDBM194542
PNG
(US9205085, MSX- 170)
Show SMILES C(Cc1ccc(CCNc2ccccc2)cc1)Nc1ccccc1
Show InChI InChI=1S/C22H24N2/c1-3-7-21(8-4-1)23-17-15-19-11-13-20(14-12-19)16-18-24-22-9-5-2-6-10-22/h1-14,23-24H,15-18H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a<100n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high ...


US Patent US9205085 (2015)

More data for this
Ligand-Target Pair