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PubMed code 27576294

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))
BDBM50198326
PNG
(CHEMBL3908835)
Show SMILES CCc1ccc(NCc2cccc(CNc3ccc(CC)cc3)n2)cc1
Show InChI InChI=1S/C23H27N3/c1-3-18-8-12-20(13-9-18)24-16-22-6-5-7-23(26-22)17-25-21-14-10-19(4-2)11-15-21/h5-15,24-25H,3-4,16-17H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Displacement of biotinylated-TN14003 from CXCR4 in human MDA-MB-231 cells assessed as reduction in fluorescence preincubated for 10 mins followed by ...


Bioorg Med Chem 24: 5052-5060 (2016)


Article DOI: 10.1016/j.bmc.2016.08.018
BindingDB Entry DOI: 10.7270/Q2WS8W7J
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50198327
PNG
(CHEMBL3948266)
Show SMILES C(N1CCOCC1)c1cccc(CN2CCOCC2)n1
Show InChI InChI=1S/C15H23N3O2/c1-2-14(12-17-4-8-19-9-5-17)16-15(3-1)13-18-6-10-20-11-7-18/h1-3H,4-13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Displacement of biotinylated-TN14003 from CXCR4 in human MDA-MB-231 cells assessed as reduction in fluorescence preincubated for 10 mins followed by ...


Bioorg Med Chem 24: 5052-5060 (2016)


Article DOI: 10.1016/j.bmc.2016.08.018
BindingDB Entry DOI: 10.7270/Q2WS8W7J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%