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BDBM194530 US9205085, MSX- 140

InChI string: InChI=1S/C24H28N2/c1-3-19-9-13-23(14-10-19)25-17-21-5-7-22(8-6-21)18-26-24-15-11-20(4-2)12-16-24/h5-16,25-26H,3-4,17-18H2,1-2H3

SMILES: CCc1ccc(NCc2ccc(CNc3ccc(CC)cc3)cc2)cc1

InChI Key: InChIKey=MDNMMSIRZVACNT-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 194530   
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))
BDBM194530
PNG
(US9205085, MSX- 140)
Show SMILES CCc1ccc(NCc2ccc(CNc3ccc(CC)cc3)cc2)cc1
Show InChI InChI=1S/C24H28N2/c1-3-19-9-13-23(14-10-19)25-17-21-5-7-22(8-6-21)18-26-24-15-11-20(4-2)12-16-24/h5-16,25-26H,3-4,17-18H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 10n/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