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PubMed code 21905730

Compile data set for download or QSAR
Found 20 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))
BDBM50363974
PNG
(CHEMBL1949739)
Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6@H]-2-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccc4ccccc4c3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6]-1=O |r|
Show InChI InChI=1S/C82H108N18O14/c1-99-67(77(111)95-61(21-13-41-89-81(83)84)75(109)97-63(47-53-27-33-55-17-9-11-19-57(55)43-53)73(107)91-49-71(105)93-65(79(99)113)45-51-29-35-59(101)36-30-51)23-15-39-87-69(103)25-7-5-3-4-6-8-26-70(104)88-40-16-24-68-78(112)96-62(22-14-42-90-82(85)86)76(110)98-64(48-54-28-34-56-18-10-12-20-58(56)44-54)74(108)92-50-72(106)94-66(80(114)100(68)2)46-52-31-37-60(102)38-32-52/h9-12,17-20,27-38,43-44,61-68,101-102H,3-8,13-16,21-26,39-42,45-50H2,1-2H3,(H,87,103)(H,88,104)(H,91,107)(H,92,108)(H,93,105)(H,94,106)(H,95,111)(H,96,112)(H,97,109)(H,98,110)(H4,83,84,89)(H4,85,86,90)/t61-,62-,63-,64-,65+,66+,67+,68+/m0/s1
PDB

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PubMed
n/an/a 2n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting


J Med Chem 54: 7648-62 (2011)


Article DOI: 10.1021/jm2009716
BindingDB Entry DOI: 10.7270/Q23T9HQV
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50363984
PNG
(CHEMBL1949730)
Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6]-1=O |r|
Show InChI InChI=1S/C37H49N11O6/c1-48-30(9-5-17-43-37(40)41)34(53)46-27(8-4-16-42-36(38)39)33(52)47-28(20-23-10-13-24-6-2-3-7-25(24)18-23)32(51)44-21-31(50)45-29(35(48)54)19-22-11-14-26(49)15-12-22/h2-3,6-7,10-15,18,27-30,49H,4-5,8-9,16-17,19-21H2,1H3,(H,44,51)(H,45,50)(H,46,53)(H,47,52)(H4,38,39,42)(H4,40,41,43)/t27-,28-,29+,30+/m0/s1
PDB

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n/an/a 2n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting


J Med Chem 54: 7648-62 (2011)


Article DOI: 10.1021/jm2009716
BindingDB Entry DOI: 10.7270/Q23T9HQV
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50363973
PNG
(CHEMBL1949738)
Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6@H]-2-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccc4ccccc4c3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6]-1=O |r|
Show InChI InChI=1S/C80H104N18O14/c1-97-65(75(109)93-59(19-11-39-87-79(81)82)73(107)95-61(45-51-25-31-53-15-7-9-17-55(53)41-51)71(105)89-47-69(103)91-63(77(97)111)43-49-27-33-57(99)34-28-49)21-13-37-85-67(101)23-5-3-4-6-24-68(102)86-38-14-22-66-76(110)94-60(20-12-40-88-80(83)84)74(108)96-62(46-52-26-32-54-16-8-10-18-56(54)42-52)72(106)90-48-70(104)92-64(78(112)98(66)2)44-50-29-35-58(100)36-30-50/h7-10,15-18,25-36,41-42,59-66,99-100H,3-6,11-14,19-24,37-40,43-48H2,1-2H3,(H,85,101)(H,86,102)(H,89,105)(H,90,106)(H,91,103)(H,92,104)(H,93,109)(H,94,110)(H,95,107)(H,96,108)(H4,81,82,87)(H4,83,84,88)/t59-,60-,61-,62-,63+,64+,65+,66+/m0/s1
PDB

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n/an/a 3n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting


J Med Chem 54: 7648-62 (2011)


Article DOI: 10.1021/jm2009716
BindingDB Entry DOI: 10.7270/Q23T9HQV
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50363972
PNG
(CHEMBL1949737)
Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6@H]-2-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccc4ccccc4c3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6]-1=O |r|
Show InChI InChI=1S/C78H100N18O14/c1-95-63(73(107)91-57(17-9-37-85-77(79)80)71(105)93-59(43-49-23-29-51-13-3-5-15-53(51)39-49)69(103)87-45-67(101)89-61(75(95)109)41-47-25-31-55(97)32-26-47)19-11-35-83-65(99)21-7-8-22-66(100)84-36-12-20-64-74(108)92-58(18-10-38-86-78(81)82)72(106)94-60(44-50-24-30-52-14-4-6-16-54(52)40-50)70(104)88-46-68(102)90-62(76(110)96(64)2)42-48-27-33-56(98)34-28-48/h3-6,13-16,23-34,39-40,57-64,97-98H,7-12,17-22,35-38,41-46H2,1-2H3,(H,83,99)(H,84,100)(H,87,103)(H,88,104)(H,89,101)(H,90,102)(H,91,107)(H,92,108)(H,93,105)(H,94,106)(H4,79,80,85)(H4,81,82,86)/t57-,58-,59-,60-,61+,62+,63+,64+/m0/s1
PDB

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PubMed
n/an/a 4n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting


J Med Chem 54: 7648-62 (2011)


Article DOI: 10.1021/jm2009716
BindingDB Entry DOI: 10.7270/Q23T9HQV
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50363969
PNG
(CHEMBL1949734)
Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6@H]-2-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccc4ccccc4c3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6]-1=O |r|
Show InChI InChI=1S/C77H98N18O14/c1-94-62(72(106)90-56(16-8-36-84-76(78)79)70(104)92-58(42-48-22-28-50-12-3-5-14-52(50)38-48)68(102)86-44-66(100)88-60(74(94)108)40-46-24-30-54(96)31-25-46)18-10-34-82-64(98)20-7-21-65(99)83-35-11-19-63-73(107)91-57(17-9-37-85-77(80)81)71(105)93-59(43-49-23-29-51-13-4-6-15-53(51)39-49)69(103)87-45-67(101)89-61(75(109)95(63)2)41-47-26-32-55(97)33-27-47/h3-6,12-15,22-33,38-39,56-63,96-97H,7-11,16-21,34-37,40-45H2,1-2H3,(H,82,98)(H,83,99)(H,86,102)(H,87,103)(H,88,100)(H,89,101)(H,90,106)(H,91,107)(H,92,104)(H,93,105)(H4,78,79,84)(H4,80,81,85)/t56-,57-,58-,59-,60+,61+,62+,63+/m0/s1
PDB

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PubMed
n/an/a 4n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting


J Med Chem 54: 7648-62 (2011)


Article DOI: 10.1021/jm2009716
BindingDB Entry DOI: 10.7270/Q23T9HQV
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50363975
PNG
(CHEMBL1949740)
Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6@H]-2-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccc4ccccc4c3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6]-1=O |r|
Show InChI InChI=1S/C85H113N17O15/c1-101-70(80(113)97-64(24-16-44-91-84(86)87)78(111)99-66(50-56-30-36-58-20-12-14-22-60(58)46-56)76(109)93-52-74(107)95-68(82(101)115)48-54-32-38-62(103)39-33-54)26-18-42-89-72(105)28-10-8-6-4-3-5-7-9-11-29-73(106)90-43-19-27-71-81(114)98-65(25-17-45-92-85(88)117)79(112)100-67(51-57-31-37-59-21-13-15-23-61(59)47-57)77(110)94-53-75(108)96-69(83(116)102(71)2)49-55-34-40-63(104)41-35-55/h12-15,20-23,30-41,46-47,64-71,103-104H,3-11,16-19,24-29,42-45,48-53H2,1-2H3,(H,89,105)(H,90,106)(H,93,109)(H,94,110)(H,95,107)(H,96,108)(H,97,113)(H,98,114)(H,99,111)(H,100,112)(H4,86,87,91)(H3,88,92,117)/t64-,65-,66-,67-,68+,69+,70+,71+/m0/s1
PDB

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting


J Med Chem 54: 7648-62 (2011)


Article DOI: 10.1021/jm2009716
BindingDB Entry DOI: 10.7270/Q23T9HQV
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50363986
PNG
(CHEMBL1949731)
Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6]-1=O |r|
Show InChI InChI=1S/C36H47N9O6/c1-45-30(9-4-16-37)34(50)43-27(8-5-17-40-36(38)39)33(49)44-28(20-23-10-13-24-6-2-3-7-25(24)18-23)32(48)41-21-31(47)42-29(35(45)51)19-22-11-14-26(46)15-12-22/h2-3,6-7,10-15,18,27-30,46H,4-5,8-9,16-17,19-21,37H2,1H3,(H,41,48)(H,42,47)(H,43,50)(H,44,49)(H4,38,39,40)/t27-,28-,29+,30+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting


J Med Chem 54: 7648-62 (2011)


Article DOI: 10.1021/jm2009716
BindingDB Entry DOI: 10.7270/Q23T9HQV
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50363978
PNG
(CHEMBL1949885)
Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6@H]-2-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccc4ccccc4c3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6]-1=O |r|
Show InChI InChI=1S/C80H102N20O16/c1-99-63(75(113)95-57(15-7-35-87-79(81)82)73(111)97-59(41-49-19-25-51-11-3-5-13-53(51)37-49)71(109)91-45-69(107)93-61(77(99)115)39-47-21-27-55(101)28-22-47)17-9-33-85-67(105)43-89-65(103)31-32-66(104)90-44-68(106)86-34-10-18-64-76(114)96-58(16-8-36-88-80(83)84)74(112)98-60(42-50-20-26-52-12-4-6-14-54(52)38-50)72(110)92-46-70(108)94-62(78(116)100(64)2)40-48-23-29-56(102)30-24-48/h3-6,11-14,19-30,37-38,57-64,101-102H,7-10,15-18,31-36,39-46H2,1-2H3,(H,85,105)(H,86,106)(H,89,103)(H,90,104)(H,91,109)(H,92,110)(H,93,107)(H,94,108)(H,95,113)(H,96,114)(H,97,111)(H,98,112)(H4,81,82,87)(H4,83,84,88)/t57-,58-,59-,60-,61+,62+,63+,64+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting


J Med Chem 54: 7648-62 (2011)


Article DOI: 10.1021/jm2009716
BindingDB Entry DOI: 10.7270/Q23T9HQV
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50363977
PNG
(CHEMBL1949884)
Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6@H]-2-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccc4ccccc4c3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6]-1=O |r|
Show InChI InChI=1S/C79H100N20O16/c1-98-62(74(112)94-56(15-7-33-86-78(80)81)72(110)96-58(39-48-19-25-50-11-3-5-13-52(50)35-48)70(108)90-44-68(106)92-60(76(98)114)37-46-21-27-54(100)28-22-46)17-9-31-84-66(104)42-88-64(102)41-65(103)89-43-67(105)85-32-10-18-63-75(113)95-57(16-8-34-87-79(82)83)73(111)97-59(40-49-20-26-51-12-4-6-14-53(51)36-49)71(109)91-45-69(107)93-61(77(115)99(63)2)38-47-23-29-55(101)30-24-47/h3-6,11-14,19-30,35-36,56-63,100-101H,7-10,15-18,31-34,37-45H2,1-2H3,(H,84,104)(H,85,105)(H,88,102)(H,89,103)(H,90,108)(H,91,109)(H,92,106)(H,93,107)(H,94,112)(H,95,113)(H,96,110)(H,97,111)(H4,80,81,86)(H4,82,83,87)/t56-,57-,58-,59-,60+,61+,62+,63+/m0/s1
PDB

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antibodypedia
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PubMed
n/an/a 8n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting


J Med Chem 54: 7648-62 (2011)


Article DOI: 10.1021/jm2009716
BindingDB Entry DOI: 10.7270/Q23T9HQV
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50363971
PNG
(CHEMBL1949736)
Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6@H]-2-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccc4ccccc4c3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6]-1=O |r|
Show InChI InChI=1S/C76H96N18O14/c1-93-61(71(105)89-55(15-7-35-83-75(77)78)69(103)91-57(41-47-19-25-49-11-3-5-13-51(49)37-47)67(101)85-43-65(99)87-59(73(93)107)39-45-21-27-53(95)28-22-45)17-9-33-81-63(97)31-32-64(98)82-34-10-18-62-72(106)90-56(16-8-36-84-76(79)80)70(104)92-58(42-48-20-26-50-12-4-6-14-52(50)38-48)68(102)86-44-66(100)88-60(74(108)94(62)2)40-46-23-29-54(96)30-24-46/h3-6,11-14,19-30,37-38,55-62,95-96H,7-10,15-18,31-36,39-44H2,1-2H3,(H,81,97)(H,82,98)(H,85,101)(H,86,102)(H,87,99)(H,88,100)(H,89,105)(H,90,106)(H,91,103)(H,92,104)(H4,77,78,83)(H4,79,80,84)/t55-,56-,57-,58-,59+,60+,61+,62+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting


J Med Chem 54: 7648-62 (2011)


Article DOI: 10.1021/jm2009716
BindingDB Entry DOI: 10.7270/Q23T9HQV
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50363979
PNG
(CHEMBL1949886)
Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6@H]-2-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccc4ccccc4c3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6]-1=O |r|
Show InChI InChI=1S/C81H104N20O16/c1-100-64(76(114)96-58(16-8-36-88-80(82)83)74(112)98-60(42-50-22-28-52-12-3-5-14-54(52)38-50)72(110)92-46-70(108)94-62(78(100)116)40-48-24-30-56(102)31-25-48)18-10-34-86-68(106)44-90-66(104)20-7-21-67(105)91-45-69(107)87-35-11-19-65-77(115)97-59(17-9-37-89-81(84)85)75(113)99-61(43-51-23-29-53-13-4-6-15-55(53)39-51)73(111)93-47-71(109)95-63(79(117)101(65)2)41-49-26-32-57(103)33-27-49/h3-6,12-15,22-33,38-39,58-65,102-103H,7-11,16-21,34-37,40-47H2,1-2H3,(H,86,106)(H,87,107)(H,90,104)(H,91,105)(H,92,110)(H,93,111)(H,94,108)(H,95,109)(H,96,114)(H,97,115)(H,98,112)(H,99,113)(H4,82,83,88)(H4,84,85,89)/t58-,59-,60-,61-,62+,63+,64+,65+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PubMed
n/an/a 14n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting


J Med Chem 54: 7648-62 (2011)


Article DOI: 10.1021/jm2009716
BindingDB Entry DOI: 10.7270/Q23T9HQV
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50363983
PNG
(CHEMBL1949890)
Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6](-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6@H]-2-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccc4ccccc4c3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-2=O)-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6]-1=O |r|
Show InChI InChI=1S/C103H142N26O24/c1-124-81(98(150)120-75(18-10-38-111-102(104)105)96(148)122-77(52-66-23-29-68-14-5-7-16-70(68)48-66)94(146)115-58-88(137)118-79(100(124)152)50-64-25-31-73(130)32-26-64)20-12-36-108-86(135)56-113-84(133)54-72(117-83(132)22-4-3-9-35-110-90(139)60-126-40-42-127(61-91(140)141)44-46-129(63-93(144)145)47-45-128(43-41-126)62-92(142)143)55-85(134)114-57-87(136)109-37-13-21-82-99(151)121-76(19-11-39-112-103(106)107)97(149)123-78(53-67-24-30-69-15-6-8-17-71(69)49-67)95(147)116-59-89(138)119-80(101(153)125(82)2)51-65-27-33-74(131)34-28-65/h5-8,14-17,23-34,48-49,72,75-82,130-131H,3-4,9-13,18-22,35-47,50-63H2,1-2H3,(H,108,135)(H,109,136)(H,110,139)(H,113,133)(H,114,134)(H,115,146)(H,116,147)(H,117,132)(H,118,137)(H,119,138)(H,120,150)(H,121,151)(H,122,148)(H,123,149)(H,140,141)(H,142,143)(H,144,145)(H4,104,105,111)(H4,106,107,112)/t75-,76-,77-,78-,79+,80+,81+,82+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting


J Med Chem 54: 7648-62 (2011)


Article DOI: 10.1021/jm2009716
BindingDB Entry DOI: 10.7270/Q23T9HQV
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50363970
PNG
(CHEMBL1949735)
Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6@H]-2-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccc4ccccc4c3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6]-1=O |r|
Show InChI InChI=1S/C77H97N17O15/c1-93-62(72(105)89-56(16-8-36-83-76(78)79)70(103)91-58(42-48-22-28-50-12-3-5-14-52(50)38-48)68(101)85-44-66(99)87-60(74(93)107)40-46-24-30-54(95)31-25-46)18-10-34-81-64(97)20-7-21-65(98)82-35-11-19-63-73(106)90-57(17-9-37-84-77(80)109)71(104)92-59(43-49-23-29-51-13-4-6-15-53(51)39-49)69(102)86-45-67(100)88-61(75(108)94(63)2)41-47-26-32-55(96)33-27-47/h3-6,12-15,22-33,38-39,56-63,95-96H,7-11,16-21,34-37,40-45H2,1-2H3,(H,81,97)(H,82,98)(H,85,101)(H,86,102)(H,87,99)(H,88,100)(H,89,105)(H,90,106)(H,91,103)(H,92,104)(H4,78,79,83)(H3,80,84,109)/t56-,57-,58-,59-,60+,61+,62+,63+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting


J Med Chem 54: 7648-62 (2011)


Article DOI: 10.1021/jm2009716
BindingDB Entry DOI: 10.7270/Q23T9HQV
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50363981
PNG
(CHEMBL1949888)
Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6](-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6@H]-2-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccc4ccccc4c3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-2=O)-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6]-1=O |r|
Show InChI InChI=1S/C99H136N24O22/c1-118-79(94(142)114-73(18-10-38-107-98(100)101)92(140)116-75(52-64-23-29-66-14-5-7-16-68(66)48-64)90(138)109-56-84(129)112-77(96(118)144)50-62-25-31-71(124)32-26-62)20-12-36-104-82(127)54-70(111-81(126)22-4-3-9-35-106-86(131)58-120-40-42-121(59-87(132)133)44-46-123(61-89(136)137)47-45-122(43-41-120)60-88(134)135)55-83(128)105-37-13-21-80-95(143)115-74(19-11-39-108-99(102)103)93(141)117-76(53-65-24-30-67-15-6-8-17-69(67)49-65)91(139)110-57-85(130)113-78(97(145)119(80)2)51-63-27-33-72(125)34-28-63/h5-8,14-17,23-34,48-49,70,73-80,124-125H,3-4,9-13,18-22,35-47,50-61H2,1-2H3,(H,104,127)(H,105,128)(H,106,131)(H,109,138)(H,110,139)(H,111,126)(H,112,129)(H,113,130)(H,114,142)(H,115,143)(H,116,140)(H,117,141)(H,132,133)(H,134,135)(H,136,137)(H4,100,101,107)(H4,102,103,108)/t73-,74-,75-,76-,77+,78+,79+,80+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting


J Med Chem 54: 7648-62 (2011)


Article DOI: 10.1021/jm2009716
BindingDB Entry DOI: 10.7270/Q23T9HQV
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50363976
PNG
(CHEMBL1949741)
Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6@H]-2-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccc4ccccc4c3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6]-1=O |r|
Show InChI InChI=1S/C88H120N18O14/c1-105-73(83(117)101-67(27-19-47-95-87(89)90)81(115)103-69(53-59-33-39-61-23-15-17-25-63(61)49-59)79(113)97-55-77(111)99-71(85(105)119)51-57-35-41-65(107)42-36-57)29-21-45-93-75(109)31-13-11-9-7-5-3-4-6-8-10-12-14-32-76(110)94-46-22-30-74-84(118)102-68(28-20-48-96-88(91)92)82(116)104-70(54-60-34-40-62-24-16-18-26-64(62)50-60)80(114)98-56-78(112)100-72(86(120)106(74)2)52-58-37-43-66(108)44-38-58/h15-18,23-26,33-44,49-50,67-74,107-108H,3-14,19-22,27-32,45-48,51-56H2,1-2H3,(H,93,109)(H,94,110)(H,97,113)(H,98,114)(H,99,111)(H,100,112)(H,101,117)(H,102,118)(H,103,115)(H,104,116)(H4,89,90,95)(H4,91,92,96)/t67-,68-,69-,70-,71+,72+,73+,74+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting


J Med Chem 54: 7648-62 (2011)


Article DOI: 10.1021/jm2009716
BindingDB Entry DOI: 10.7270/Q23T9HQV
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50363982
PNG
(CHEMBL1949889)
Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6@H]-2-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccc4ccccc4c3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6]-1=O |r|
Show InChI InChI=1S/C102H140N26O24/c1-123-80(97(149)119-73(18-10-38-110-101(103)104)95(147)121-75(52-65-23-29-67-14-5-7-16-69(67)48-65)92(144)114-57-86(135)117-78(99(123)151)50-63-25-31-71(129)32-26-63)20-12-36-107-84(133)55-112-83(132)54-77(116-82(131)22-4-3-9-35-109-88(137)59-125-40-42-126(60-89(138)139)44-46-128(62-91(142)143)47-45-127(43-41-125)61-90(140)141)94(146)113-56-85(134)108-37-13-21-81-98(150)120-74(19-11-39-111-102(105)106)96(148)122-76(53-66-24-30-68-15-6-8-17-70(68)49-66)93(145)115-58-87(136)118-79(100(152)124(81)2)51-64-27-33-72(130)34-28-64/h5-8,14-17,23-34,48-49,73-81,129-130H,3-4,9-13,18-22,35-47,50-62H2,1-2H3,(H,107,133)(H,108,134)(H,109,137)(H,112,132)(H,113,146)(H,114,144)(H,115,145)(H,116,131)(H,117,135)(H,118,136)(H,119,149)(H,120,150)(H,121,147)(H,122,148)(H,138,139)(H,140,141)(H,142,143)(H4,103,104,110)(H4,105,106,111)/t73-,74-,75-,76-,77-,78+,79+,80+,81+/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting


J Med Chem 54: 7648-62 (2011)


Article DOI: 10.1021/jm2009716
BindingDB Entry DOI: 10.7270/Q23T9HQV
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50363987
PNG
(CHEMBL1949732)
Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6]-1=O |r|
Show InChI InChI=1S/C38H49N9O7/c1-23(48)41-17-6-10-32-36(53)45-29(9-5-18-42-38(39)40)35(52)46-30(21-25-11-14-26-7-3-4-8-27(26)19-25)34(51)43-22-33(50)44-31(37(54)47(32)2)20-24-12-15-28(49)16-13-24/h3-4,7-8,11-16,19,29-32,49H,5-6,9-10,17-18,20-22H2,1-2H3,(H,41,48)(H,43,51)(H,44,50)(H,45,53)(H,46,52)(H4,39,40,42)/t29-,30-,31+,32+/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting


J Med Chem 54: 7648-62 (2011)


Article DOI: 10.1021/jm2009716
BindingDB Entry DOI: 10.7270/Q23T9HQV
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50363968
PNG
(CHEMBL1949733)
Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6]-1=O |r|
Show InChI InChI=1S/C41H54N10O8/c1-51-33(10-6-19-45-35(54)12-4-11-34(42)53)39(58)49-30(9-5-20-46-41(43)44)38(57)50-31(23-26-13-16-27-7-2-3-8-28(27)21-26)37(56)47-24-36(55)48-32(40(51)59)22-25-14-17-29(52)18-15-25/h2-3,7-8,13-18,21,30-33,52H,4-6,9-12,19-20,22-24H2,1H3,(H2,42,53)(H,45,54)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H4,43,44,46)/t30-,31-,32+,33+/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting


J Med Chem 54: 7648-62 (2011)


Article DOI: 10.1021/jm2009716
BindingDB Entry DOI: 10.7270/Q23T9HQV
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50363980
PNG
(CHEMBL1949887)
Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6@H]-2-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccc4ccccc4c3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6]-1=O |r|
Show InChI InChI=1S/C98H134N24O22/c1-117-78(93(141)113-71(18-10-38-106-97(99)100)91(139)115-73(52-63-23-29-65-14-5-7-16-67(65)48-63)89(137)108-55-82(127)111-76(95(117)143)50-61-25-31-69(123)32-26-61)20-12-36-103-81(126)54-75(110-80(125)22-4-3-9-35-104-84(129)57-119-40-42-120(58-85(130)131)44-46-122(60-87(134)135)47-45-121(43-41-119)59-86(132)133)88(136)105-37-13-21-79-94(142)114-72(19-11-39-107-98(101)102)92(140)116-74(53-64-24-30-66-15-6-8-17-68(66)49-64)90(138)109-56-83(128)112-77(96(144)118(79)2)51-62-27-33-70(124)34-28-62/h5-8,14-17,23-34,48-49,71-79,123-124H,3-4,9-13,18-22,35-47,50-60H2,1-2H3,(H,103,126)(H,104,129)(H,105,136)(H,108,137)(H,109,138)(H,110,125)(H,111,127)(H,112,128)(H,113,141)(H,114,142)(H,115,139)(H,116,140)(H,130,131)(H,132,133)(H,134,135)(H4,99,100,106)(H4,101,102,107)/t71-,72-,73-,74-,75-,76+,77+,78+,79+/m0/s1
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n/an/a 98n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting


J Med Chem 54: 7648-62 (2011)


Article DOI: 10.1021/jm2009716
BindingDB Entry DOI: 10.7270/Q23T9HQV
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50363985
PNG
(CHEMBL1949675)
Show SMILES CN1[C@H](CCCNC(C)=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O |r|
Show InChI InChI=1S/C38H48N8O8/c1-23(47)40-17-6-10-32-36(52)44-29(9-5-18-41-38(39)54)35(51)45-30(21-25-11-14-26-7-3-4-8-27(26)19-25)34(50)42-22-33(49)43-31(37(53)46(32)2)20-24-12-15-28(48)16-13-24/h3-4,7-8,11-16,19,29-32,48H,5-6,9-10,17-18,20-22H2,1-2H3,(H,40,47)(H,42,50)(H,43,49)(H,44,52)(H,45,51)(H3,39,41,54)/t29-,30-,31+,32+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting


J Med Chem 54: 7648-62 (2011)


Article DOI: 10.1021/jm2009716
BindingDB Entry DOI: 10.7270/Q23T9HQV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%