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BDBM194582 US9205085, MSX- 221

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

SMILES: Clc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1

InChI Key: InChIKey=GLJSDECQQUMRIC-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 = 194582   
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))
BDBM194582
PNG
(US9205085, MSX- 221)
Show SMILES Clc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1
Show InChI InChI=1S/C17H16ClN5/c18-15-3-1-4-16(23-15)21-11-13-5-7-14(8-6-13)12-22-17-19-9-2-10-20-17/h1-10H,11-12H2,(H,21,23)(H,19,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 1n/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