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BDBM194581 US9205085, MSX- 219

InChI string: InChI=1S/C17H16ClN5/c18-15-6-7-16(22-12-15)21-10-13-2-4-14(5-3-13)11-23-17-19-8-1-9-20-17/h1-9,12H,10-11H2,(H,21,22)(H,19,20,23)

SMILES: Clc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1

InChI Key: InChIKey=SFMWCQXIDYVTJY-UHFFFAOYSA-N

Data: 1 IC50

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

Found 1 hit for monomerid = 194581   
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))
BDBM194581
PNG
(US9205085, MSX- 219)
Show SMILES Clc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1
Show InChI InChI=1S/C17H16ClN5/c18-15-6-7-16(22-12-15)21-10-13-2-4-14(5-3-13)11-23-17-19-8-1-9-20-17/h1-9,12H,10-11H2,(H,21,22)(H,19,20,23)
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