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BDBM194544 US9205085, MSX- 172

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

SMILES: Cc1c(C)c(CNc2ccccc2)c(C)c(C)c1CNc1ccccc1

InChI Key: InChIKey=PQFJPYAXFPDZSZ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 194544   
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))
BDBM194544
PNG
(US9205085, MSX- 172)
Show SMILES Cc1c(C)c(CNc2ccccc2)c(C)c(C)c1CNc1ccccc1
Show InChI InChI=1S/C24H28N2/c1-17-18(2)24(16-26-22-13-9-6-10-14-22)20(4)19(3)23(17)15-25-21-11-7-5-8-12-21/h5-14,25-26H,15-16H2,1-4H3
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