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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for monomerid = 50398991   
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))
BDBM50398991
PNG
(CHEMBL2179708)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#7])cc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C39H45N9O6/c40-28-13-8-23(9-14-28)20-33-38(54)46-30(6-3-17-43-39(41)42)36(52)47-31(21-25-7-12-26-4-1-2-5-27(26)18-25)35(51)44-22-34(50)45-32(37(53)48-33)19-24-10-15-29(49)16-11-24/h1-2,4-5,7-16,18,30-33,49H,3,6,17,19-22,40H2,(H,44,51)(H,45,50)(H,46,54)(H,47,52)(H,48,53)(H4,41,42,43)/t30-,31-,32+,33-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.48E+4n/an/an/an/a



University of Troms£

Curated by ChEMBL


Assay Description
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation...


J Med Chem 55: 10287-91 (2012)


Article DOI: 10.1021/jm300926y
BindingDB Entry DOI: 10.7270/Q23779T3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50398991
PNG
(CHEMBL2179708)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#7])cc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C39H45N9O6/c40-28-13-8-23(9-14-28)20-33-38(54)46-30(6-3-17-43-39(41)42)36(52)47-31(21-25-7-12-26-4-1-2-5-27(26)18-25)35(51)44-22-34(50)45-32(37(53)48-33)19-24-10-15-29(49)16-11-24/h1-2,4-5,7-16,18,30-33,49H,3,6,17,19-22,40H2,(H,44,51)(H,45,50)(H,46,54)(H,47,52)(H,48,53)(H4,41,42,43)/t30-,31-,32+,33-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.50E+4n/an/an/an/a



University of Troms£

Curated by ChEMBL


Assay Description
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation...


J Med Chem 55: 10287-91 (2012)


Article DOI: 10.1021/jm300926y
BindingDB Entry DOI: 10.7270/Q23779T3
More data for this
Ligand-Target Pair