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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 4 (CXCR4/SDF-1)' and Ligand = 'BDBM194556'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM194556
PNG
(US9205085, MSX- 185)
Show SMILES Cc1ccc(NCc2ccc(CNc3ccc(F)cn3)cc2)nc1
Show InChI InChI=1S/C19H19FN4/c1-14-2-8-18(21-10-14)22-11-15-3-5-16(6-4-15)12-23-19-9-7-17(20)13-24-19/h2-10,13H,11-12H2,1H3,(H,21,22)(H,23,24)
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