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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)' and Ligand = 'BDBM221834'   
Target/Host
(Institution)
LigandTarget/Host
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)


(Homo sapiens (Human))
BDBM221834
PNG
(US9314468, Table 7, Compound 121)
Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNC(=O)C3)c12)[C@H]1CCCc2cccnc12
Show InChI InChI=1S/C32H41N7O/c33-14-3-4-19-38(29-12-5-8-24-9-6-15-36-31(24)29)22-27-32-26(13-16-34-27)25-10-1-2-11-28(25)39(32)20-7-18-37-21-17-35-30(40)23-37/h1-2,6,9-11,13,15-16,29H,3-5,7-8,12,14,17-23,33H2,(H,35,40)/t29-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/a37



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...


US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair