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Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'kusano' and Initial = 's'   
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))
BDBM50202356
PNG
(CHEMBL218806 | cyclo(-D-Tyr-D-MeArg-L-Arg-L-Nal-Gl...)
Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O |r|
Show InChI InChI=1S/C37H49N11O6/c1-48-30(9-5-17-43-37(40)41)34(53)47-28(19-22-11-14-26(49)15-12-22)32(51)44-21-31(50)45-29(20-23-10-13-24-6-2-3-7-25(24)18-23)33(52)46-27(35(48)54)8-4-16-42-36(38)39/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,46,52)(H,47,53)(H4,38,39,42)(H4,40,41,43)/t27-,28+,29-,30+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50159214
PNG
(CHEMBL438934)
Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6@H]-2-[#7]-[#6](=O)-[#6@@H]-3-[#6]-[#6]-[#6]-[#7]-3-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#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](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1
Show InChI InChI=1S/C81H137N33O18S2/c1-44(102-64(118)51(17-8-34-97-77(87)88)103-63(117)49(84)14-7-33-96-76(85)86)62(116)112-59-42-133-134-43-60(71(125)109-56(75(129)130)21-12-37-100-80(93)94)113-68(122)54(20-11-38-101-81(95)131)105-66(120)53(19-10-36-99-79(91)92)107-70(124)58(41-46-25-29-48(132-2)30-26-46)111-73(127)61-22-13-39-114(61)74(128)55(16-4-6-32-83)108-67(121)50(15-3-5-31-82)104-65(119)52(18-9-35-98-78(89)90)106-69(123)57(110-72(59)126)40-45-23-27-47(115)28-24-45/h23-30,44,49-61,115H,3-22,31-43,82-84H2,1-2H3,(H,102,118)(H,103,117)(H,104,119)(H,105,120)(H,106,123)(H,107,124)(H,108,121)(H,109,125)(H,110,126)(H,111,127)(H,112,116)(H,113,122)(H,129,130)(H4,85,86,96)(H4,87,88,97)(H4,89,90,98)(H4,91,92,99)(H4,93,94,100)(H3,95,101,131)/t44-,49-,50+,51-,52-,53+,54-,55-,56-,57+,58-,59+,60-,61+/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells


J Med Chem 48: 380-91 (2005)


Article DOI: 10.1021/jm049429h
BindingDB Entry DOI: 10.7270/Q27S7N98
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202350
PNG
(CHEMBL219474 | cyclo(-D-Tyr-L-Arg-L-Arg-L-Nal-Gly-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(18-21-10-13-25(48)14-11-21)31(50)43-20-30(49)44-29(34(53)46-26)19-22-9-12-23-5-1-2-6-24(23)17-22/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27-,28+,29-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50159213
PNG
(CHEMBL370001 | N-{3-[10-(3-Guanidino-propyl)-4-(4-...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O
Show InChI InChI=1S/C35H45N11O6/c36-33(37)40-15-3-7-25-29(48)42-26(8-4-16-41-34(38)39)30(49)44-27(19-21-9-12-22-5-1-2-6-23(22)17-21)32(51)46-35(52)45-28(31(50)43-25)18-20-10-13-24(47)14-11-20/h1-2,5-6,9-14,17,25-28,47H,3-4,7-8,15-16,18-19H2,(H,42,48)(H,43,50)(H,44,49)(H4,36,37,40)(H4,38,39,41)(H2,45,46,51,52)/t25-,26-,27-,28+/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells


J Med Chem 48: 380-91 (2005)


Article DOI: 10.1021/jm049429h
BindingDB Entry DOI: 10.7270/Q27S7N98
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202346
PNG
(CHEMBL219339 | cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-Gly-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(18-21-10-13-25(48)14-11-21)31(50)43-20-30(49)44-29(34(53)46-26)19-22-9-12-23-5-1-2-6-24(23)17-22/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27+,28+,29-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202359
PNG
(CHEMBL375990 | cyclo(-D-Tyr-L-Arg-L-Arg-L-Nal-D-Al...)
Show SMILES [#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C37H49N11O6/c1-21-31(50)47-30(20-23-10-13-24-6-2-3-7-25(24)18-23)35(54)46-27(8-4-16-42-36(38)39)32(51)45-28(9-5-17-43-37(40)41)33(52)48-29(34(53)44-21)19-22-11-14-26(49)15-12-22/h2-3,6-7,10-15,18,21,27-30,49H,4-5,8-9,16-17,19-20H2,1H3,(H,44,53)(H,45,51)(H,46,54)(H,47,50)(H,48,52)(H4,38,39,42)(H4,40,41,43)/t21-,27+,28+,29-,30+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202345
PNG
(CHEMBL373636 | cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-D-Al...)
Show SMILES [#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C37H49N11O6/c1-21-31(50)47-30(20-23-10-13-24-6-2-3-7-25(24)18-23)35(54)46-27(8-4-16-42-36(38)39)32(51)45-28(9-5-17-43-37(40)41)33(52)48-29(34(53)44-21)19-22-11-14-26(49)15-12-22/h2-3,6-7,10-15,18,21,27-30,49H,4-5,8-9,16-17,19-20H2,1H3,(H,44,53)(H,45,51)(H,46,54)(H,47,50)(H,48,52)(H4,38,39,42)(H4,40,41,43)/t21-,27+,28-,29-,30+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202347
PNG
(CHEMBL376219 | cyclo(-D-Tyr-D-Arg-L-MeArg-L-Nal-Gl...)
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]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#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(19-22-11-14-26(49)15-12-22)32(51)44-21-31(50)45-29(35(48)54)20-23-10-13-24-6-2-3-7-25(24)18-23/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+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202365
PNG
(CHEMBL374421 | cyclo(-D-Tyr-L-MeArg-L-Arg-L-Nal-Gl...)
Show SMILES [#6]-[#7]-1-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O |r|
Show InChI InChI=1S/C37H49N11O6/c1-48-30(9-5-17-43-37(40)41)34(53)47-28(19-22-11-14-26(49)15-12-22)32(51)44-21-31(50)45-29(20-23-10-13-24-6-2-3-7-25(24)18-23)33(52)46-27(35(48)54)8-4-16-42-36(38)39/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,46,52)(H,47,53)(H4,38,39,42)(H4,40,41,43)/t27-,28+,29-,30-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50410271
PNG
(CHEMBL2113071)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC[C@H](Cc2ccc3ccccc3c2)NC1=O
Show InChI InChI=1S/C36H49N11O5/c37-35(38)42-15-3-7-28-32(50)44-26(18-23-9-12-24-5-1-2-6-25(24)17-23)20-41-21-31(49)45-30(19-22-10-13-27(48)14-11-22)34(52)47-29(33(51)46-28)8-4-16-43-36(39)40/h1-2,5-6,9-14,17,26,28-30,41,48H,3-4,7-8,15-16,18-21H2,(H,44,50)(H,45,49)(H,46,51)(H,47,52)(H4,37,38,42)(H4,39,40,43)/t26-,28-,29-,30+/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells


J Med Chem 48: 380-91 (2005)


Article DOI: 10.1021/jm049429h
BindingDB Entry DOI: 10.7270/Q27S7N98
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202344
PNG
(CHEMBL375991 | cyclo(-D-Tyr-L-Arg-L-Arg-L-Nal-beta...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C37H49N11O6/c38-36(39)43-16-3-7-27-33(52)46-28(8-4-17-44-37(40)41)34(53)48-29(20-22-10-13-26(49)14-11-22)32(51)42-18-15-31(50)45-30(35(54)47-27)21-23-9-12-24-5-1-2-6-25(24)19-23/h1-2,5-6,9-14,19,27-30,49H,3-4,7-8,15-18,20-21H2,(H,42,51)(H,45,50)(H,46,52)(H,47,54)(H,48,53)(H4,38,39,43)(H4,40,41,44)/t27-,28-,29+,30-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202367
PNG
(CHEMBL374108 | cyclo(-D-Tyr-L-Ala-L-Arg-L-Nal-Gly-...)
Show SMILES [#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C33H40N8O6/c1-19-29(44)41-26(16-20-9-12-24(42)13-10-20)30(45)37-18-28(43)39-27(17-21-8-11-22-5-2-3-6-23(22)15-21)32(47)40-25(31(46)38-19)7-4-14-36-33(34)35/h2-3,5-6,8-13,15,19,25-27,42H,4,7,14,16-18H2,1H3,(H,37,45)(H,38,46)(H,39,43)(H,40,47)(H,41,44)(H4,34,35,36)/t19-,25-,26+,27-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202360
PNG
(CHEMBL376811 | cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-L-Al...)
Show SMILES [#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C37H49N11O6/c1-21-31(50)47-30(20-23-10-13-24-6-2-3-7-25(24)18-23)35(54)46-27(8-4-16-42-36(38)39)32(51)45-28(9-5-17-43-37(40)41)33(52)48-29(34(53)44-21)19-22-11-14-26(49)15-12-22/h2-3,6-7,10-15,18,21,27-30,49H,4-5,8-9,16-17,19-20H2,1H3,(H,44,53)(H,45,51)(H,46,54)(H,47,50)(H,48,52)(H4,38,39,42)(H4,40,41,43)/t21-,27-,28+,29+,30-/m0/s1
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n/an/a 92n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202351
PNG
(CHEMBL436536 | cyclo(-D-Tyr-L-Arg-L-MeArg-L-Nal-Gl...)
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]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#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(19-22-11-14-26(49)15-12-22)32(51)44-21-31(50)45-29(35(48)54)20-23-10-13-24-6-2-3-7-25(24)18-23/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
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n/an/a 99n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202366
PNG
(CHEMBL219096 | cyclo(-D-MeTyr-L-Arg-L-Arg-L-Nal-Gl...)
Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O |r|
Show InChI InChI=1S/C37H49N11O6/c1-48-30(20-22-11-14-26(49)15-12-22)34(53)44-21-31(50)45-29(19-23-10-13-24-6-2-3-7-25(24)18-23)33(52)46-27(8-4-16-42-36(38)39)32(51)47-28(35(48)54)9-5-17-43-37(40)41/h2-3,6-7,10-15,18,27-30,49H,4-5,8-9,16-17,19-21H2,1H3,(H,44,53)(H,45,50)(H,46,52)(H,47,51)(H4,38,39,42)(H4,40,41,43)/t27-,28-,29-,30+/m0/s1
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n/an/a 128n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202357
PNG
(CHEMBL373440 | cyclo(-D-Ala-D-Arg-L-Arg-L-Nal-Gly-...)
Show SMILES [#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C30H43N11O5/c1-17-25(43)37-16-24(42)39-23(15-18-10-11-19-6-2-3-7-20(19)14-18)28(46)41-22(9-5-13-36-30(33)34)27(45)40-21(26(44)38-17)8-4-12-35-29(31)32/h2-3,6-7,10-11,14,17,21-23H,4-5,8-9,12-13,15-16H2,1H3,(H,37,43)(H,38,44)(H,39,42)(H,40,45)(H,41,46)(H4,31,32,35)(H4,33,34,36)/t17-,21-,22+,23+/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202348
PNG
(CHEMBL375993 | cyclo(-D-MeTyr-D-Arg-L-Arg-L-Nal-Gl...)
Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O |r|
Show InChI InChI=1S/C37H49N11O6/c1-48-30(20-22-11-14-26(49)15-12-22)34(53)44-21-31(50)45-29(19-23-10-13-24-6-2-3-7-25(24)18-23)33(52)46-27(8-4-16-42-36(38)39)32(51)47-28(35(48)54)9-5-17-43-37(40)41/h2-3,6-7,10-15,18,27-30,49H,4-5,8-9,16-17,19-21H2,1H3,(H,44,53)(H,45,50)(H,46,52)(H,47,51)(H4,38,39,42)(H4,40,41,43)/t27-,28+,29-,30+/m0/s1
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n/an/a 157n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202373
PNG
(CHEMBL219075 | cyclo(-D-Tyr-L-Arg-L-Arg-L-Ala-Sar-...)
Show SMILES [#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C27H43N11O6/c1-15-22(41)35-18(5-3-11-32-26(28)29)23(42)36-19(6-4-12-33-27(30)31)24(43)37-20(13-16-7-9-17(39)10-8-16)25(44)38(2)14-21(40)34-15/h7-10,15,18-20,39H,3-6,11-14H2,1-2H3,(H,34,40)(H,35,41)(H,36,42)(H,37,43)(H4,28,29,32)(H4,30,31,33)/t15-,18-,19-,20+/m0/s1
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n/an/a 167n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202361
PNG
(CHEMBL387120 | cyclo(-D-Tyr-L-Arg-L-Arg-L-Nal-L-Al...)
Show SMILES [#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C37H49N11O6/c1-21-31(50)47-30(20-23-10-13-24-6-2-3-7-25(24)18-23)35(54)46-27(8-4-16-42-36(38)39)32(51)45-28(9-5-17-43-37(40)41)33(52)48-29(34(53)44-21)19-22-11-14-26(49)15-12-22/h2-3,6-7,10-15,18,21,27-30,49H,4-5,8-9,16-17,19-20H2,1H3,(H,44,53)(H,45,51)(H,46,54)(H,47,50)(H,48,52)(H4,38,39,42)(H4,40,41,43)/t21-,27-,28-,29+,30-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50410273
PNG
(CHEMBL2113070)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]\[#6]=[#6]\[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |t:36|
Show InChI InChI=1S/C37H48N10O5/c38-36(39)42-18-4-9-29-33(50)44-27(21-24-12-15-25-6-1-2-7-26(25)20-24)8-3-11-32(49)45-31(22-23-13-16-28(48)17-14-23)35(52)47-30(34(51)46-29)10-5-19-43-37(40)41/h1-3,6-8,12-17,20,27,29-31,48H,4-5,9-11,18-19,21-22H2,(H,44,50)(H,45,49)(H,46,51)(H,47,52)(H4,38,39,42)(H4,40,41,43)/b8-3+/t27-,29+,30+,31-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells


J Med Chem 48: 380-91 (2005)


Article DOI: 10.1021/jm049429h
BindingDB Entry DOI: 10.7270/Q27S7N98
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50410270
PNG
(CHEMBL2112323)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O
Show InChI InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27-,28+,29+/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells


J Med Chem 48: 380-91 (2005)


Article DOI: 10.1021/jm049429h
BindingDB Entry DOI: 10.7270/Q27S7N98
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202343
PNG
(CHEMBL384429 | cyclo(-D-Tyr-D-Ala-L-Arg-L-Nal-Gly-...)
Show SMILES [#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C33H40N8O6/c1-19-29(44)41-26(16-20-9-12-24(42)13-10-20)30(45)37-18-28(43)39-27(17-21-8-11-22-5-2-3-6-23(22)15-21)32(47)40-25(31(46)38-19)7-4-14-36-33(34)35/h2-3,5-6,8-13,15,19,25-27,42H,4,7,14,16-18H2,1H3,(H,37,45)(H,38,46)(H,39,43)(H,40,47)(H,41,44)(H4,34,35,36)/t19-,25+,26-,27+/m1/s1
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n/an/a 230n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202368
PNG
(CHEMBL375850 | cyclo(-D-Tyr-L-Arg-L-Arg-L-MeNal-Gl...)
Show SMILES [#6]-[#7]-1-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#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]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6]-1=O |r|
Show InChI InChI=1S/C37H49N11O6/c1-48-30(20-23-10-13-24-6-2-3-7-25(24)18-23)35(54)46-28(9-5-17-43-37(40)41)33(52)45-27(8-4-16-42-36(38)39)34(53)47-29(32(51)44-21-31(48)50)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,45,52)(H,46,54)(H,47,53)(H4,38,39,42)(H4,40,41,43)/t27-,28-,29+,30-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202362
PNG
(CHEMBL374862 | cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-Sar-...)
Show SMILES [#6]-[#7]-1-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#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]-c2ccc(-[#8])cc2)-[#6]-1=O |r|
Show InChI InChI=1S/C37H49N11O6/c1-48-21-31(50)44-29(20-23-10-13-24-6-2-3-7-25(24)18-23)34(53)46-27(8-4-16-42-36(38)39)32(51)45-28(9-5-17-43-37(40)41)33(52)47-30(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,44,50)(H,45,51)(H,46,53)(H,47,52)(H4,38,39,42)(H4,40,41,43)/t27-,28+,29-,30+/m0/s1
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n/an/a 256n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202355
PNG
(CHEMBL219135 | cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-beta...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C37H49N11O6/c38-36(39)43-16-3-7-27-33(52)46-28(8-4-17-44-37(40)41)34(53)48-29(20-22-10-13-26(49)14-11-22)32(51)42-18-15-31(50)45-30(35(54)47-27)21-23-9-12-24-5-1-2-6-25(24)19-23/h1-2,5-6,9-14,19,27-30,49H,3-4,7-8,15-18,20-21H2,(H,42,51)(H,45,50)(H,46,52)(H,47,54)(H,48,53)(H4,38,39,43)(H4,40,41,44)/t27-,28+,29+,30-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202363
PNG
(CHEMBL426169 | cyclo(-D-Tyr-D-Arg-L-Arg-L-MeNal-Gl...)
Show SMILES [#6]-[#7]-1-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#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]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6]-1=O |r|
Show InChI InChI=1S/C37H49N11O6/c1-48-30(20-23-10-13-24-6-2-3-7-25(24)18-23)35(54)46-28(9-5-17-43-37(40)41)33(52)45-27(8-4-16-42-36(38)39)34(53)47-29(32(51)44-21-31(48)50)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,45,52)(H,46,54)(H,47,53)(H4,38,39,42)(H4,40,41,43)/t27-,28+,29-,30+/m1/s1
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n/an/a 563n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202353
PNG
(CHEMBL373637 | cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-L-Pi...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C40H53N11O6/c41-39(42)45-18-5-9-29-34(53)47-30(10-6-19-46-40(43)44)35(54)50-32(22-24-13-16-28(52)17-14-24)38(57)51-20-4-3-11-33(51)37(56)49-31(36(55)48-29)23-25-12-15-26-7-1-2-8-27(26)21-25/h1-2,7-8,12-17,21,29-33,52H,3-6,9-11,18-20,22-23H2,(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H4,41,42,45)(H4,43,44,46)/t29-,30+,31-,32+,33-/m0/s1
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n/an/a 640n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202370
PNG
(CHEMBL218863 | cyclo(-D-Tyr-L-Arg-L-Arg-L-Nal-L-Pi...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C40H53N11O6/c41-39(42)45-18-5-9-29-34(53)47-30(10-6-19-46-40(43)44)35(54)50-32(22-24-13-16-28(52)17-14-24)38(57)51-20-4-3-11-33(51)37(56)49-31(36(55)48-29)23-25-12-15-26-7-1-2-8-27(26)21-25/h1-2,7-8,12-17,21,29-33,52H,3-6,9-11,18-20,22-23H2,(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H4,41,42,45)(H4,43,44,46)/t29-,30-,31-,32+,33-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202372
PNG
(CHEMBL375168 | cyclo(-D-Tyr-L-Arg-L-Arg-L-Nal-D-Pi...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C40H53N11O6/c41-39(42)45-18-5-9-29-34(53)47-30(10-6-19-46-40(43)44)35(54)50-32(22-24-13-16-28(52)17-14-24)38(57)51-20-4-3-11-33(51)37(56)49-31(36(55)48-29)23-25-12-15-26-7-1-2-8-27(26)21-25/h1-2,7-8,12-17,21,29-33,52H,3-6,9-11,18-20,22-23H2,(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H4,41,42,45)(H4,43,44,46)/t29-,30-,31-,32+,33+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202364
PNG
(CHEMBL218862 | cyclo(-D-Tyr-D-Arg-L-Arg-L-Ala-Gly-...)
Show SMILES [#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C26H41N11O6/c1-14-21(40)35-17(4-2-10-31-25(27)28)23(42)36-18(5-3-11-32-26(29)30)24(43)37-19(22(41)33-13-20(39)34-14)12-15-6-8-16(38)9-7-15/h6-9,14,17-19,38H,2-5,10-13H2,1H3,(H,33,41)(H,34,39)(H,35,40)(H,36,42)(H,37,43)(H4,27,28,31)(H4,29,30,32)/t14-,17-,18+,19+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202352
PNG
(CHEMBL444094 | cyclo(-D-Tyr-D-Arg-L-Ala-L-Nal-Gly-...)
Show SMILES [#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C33H40N8O6/c1-19-29(44)40-25(7-4-14-36-33(34)35)31(46)41-26(16-20-9-12-24(42)13-10-20)30(45)37-18-28(43)39-27(32(47)38-19)17-21-8-11-22-5-2-3-6-23(22)15-21/h2-3,5-6,8-13,15,19,25-27,42H,4,7,14,16-18H2,1H3,(H,37,45)(H,38,47)(H,39,43)(H,40,44)(H,41,46)(H4,34,35,36)/t19-,25+,26+,27-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202371
PNG
(CHEMBL375992 | cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-L-Pr...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C39H51N11O6/c40-38(41)44-17-3-8-28-33(52)46-29(9-4-18-45-39(42)43)34(53)49-31(21-23-12-15-27(51)16-13-23)37(56)50-19-5-10-32(50)36(55)48-30(35(54)47-28)22-24-11-14-25-6-1-2-7-26(25)20-24/h1-2,6-7,11-16,20,28-32,51H,3-5,8-10,17-19,21-22H2,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,44)(H4,42,43,45)/t28-,29+,30-,31+,32-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202349
PNG
(CHEMBL218771 | cyclo(-D-Tyr-L-Arg-L-Ala-L-Nal-Gly-...)
Show SMILES [#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C33H40N8O6/c1-19-29(44)40-25(7-4-14-36-33(34)35)31(46)41-26(16-20-9-12-24(42)13-10-20)30(45)37-18-28(43)39-27(32(47)38-19)17-21-8-11-22-5-2-3-6-23(22)15-21/h2-3,5-6,8-13,15,19,25-27,42H,4,7,14,16-18H2,1H3,(H,37,45)(H,38,47)(H,39,43)(H,40,44)(H,41,46)(H4,34,35,36)/t19-,25-,26+,27-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202342
PNG
(CHEMBL218864 | cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-D-Pi...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C40H53N11O6/c41-39(42)45-18-5-9-29-34(53)47-30(10-6-19-46-40(43)44)35(54)50-32(22-24-13-16-28(52)17-14-24)38(57)51-20-4-3-11-33(51)37(56)49-31(36(55)48-29)23-25-12-15-26-7-1-2-8-27(26)21-25/h1-2,7-8,12-17,21,29-33,52H,3-6,9-11,18-20,22-23H2,(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H4,41,42,45)(H4,43,44,46)/t29-,30+,31-,32+,33+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202374
PNG
(CHEMBL387122 | cyclo(-D-Tyr-L-Arg-L-Arg-L-Nal-D-Pr...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C39H51N11O6/c40-38(41)44-17-3-8-28-33(52)46-29(9-4-18-45-39(42)43)34(53)49-31(21-23-12-15-27(51)16-13-23)37(56)50-19-5-10-32(50)36(55)48-30(35(54)47-28)22-24-11-14-25-6-1-2-7-26(25)20-24/h1-2,6-7,11-16,20,28-32,51H,3-5,8-10,17-19,21-22H2,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,44)(H4,42,43,45)/t28-,29-,30-,31+,32+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202341
PNG
(CHEMBL373420 | cyclo(-D-Ala-L-Arg-L-Arg-L-Nal-Gly-...)
Show SMILES [#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C30H43N11O5/c1-17-25(43)37-16-24(42)39-23(15-18-10-11-19-6-2-3-7-20(19)14-18)28(46)41-22(9-5-13-36-30(33)34)27(45)40-21(26(44)38-17)8-4-12-35-29(31)32/h2-3,6-7,10-11,14,17,21-23H,4-5,8-9,12-13,15-16H2,1H3,(H,37,43)(H,38,44)(H,39,42)(H,40,45)(H,41,46)(H4,31,32,35)(H4,33,34,36)/t17-,21+,22+,23+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202369
PNG
(CHEMBL376513 | cyclo(-D-Tyr-L-Arg-L-Arg-L-Ala-Gly-...)
Show SMILES [#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C26H41N11O6/c1-14-21(40)35-17(4-2-10-31-25(27)28)23(42)36-18(5-3-11-32-26(29)30)24(43)37-19(22(41)33-13-20(39)34-14)12-15-6-8-16(38)9-7-15/h6-9,14,17-19,38H,2-5,10-13H2,1H3,(H,33,41)(H,34,39)(H,35,40)(H,36,42)(H,37,43)(H4,27,28,31)(H4,29,30,32)/t14-,17-,18-,19+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202358
PNG
(CHEMBL387121 | cyclo(-D-Tyr-L-Arg-L-Arg-L-Nal-L-Pr...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C39H51N11O6/c40-38(41)44-17-3-8-28-33(52)46-29(9-4-18-45-39(42)43)34(53)49-31(21-23-12-15-27(51)16-13-23)37(56)50-19-5-10-32(50)36(55)48-30(35(54)47-28)22-24-11-14-25-6-1-2-7-26(25)20-24/h1-2,6-7,11-16,20,28-32,51H,3-5,8-10,17-19,21-22H2,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,44)(H4,42,43,45)/t28-,29-,30-,31+,32-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50202354
PNG
(CHEMBL218972 | cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-D-Pr...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C39H51N11O6/c40-38(41)44-17-3-8-28-33(52)46-29(9-4-18-45-39(42)43)34(53)49-31(21-23-12-15-27(51)16-13-23)37(56)50-19-5-10-32(50)36(55)48-30(35(54)47-28)22-24-11-14-25-6-1-2-7-26(25)20-24/h1-2,6-7,11-16,20,28-32,51H,3-5,8-10,17-19,21-22H2,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,44)(H4,42,43,45)/t28-,29+,30-,31+,32+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells


J Med Chem 50: 192-8 (2007)


Article DOI: 10.1021/jm0607350
BindingDB Entry DOI: 10.7270/Q25M65D3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50410272
PNG
(CHEMBL2113067)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)\C=C/1 |c:53|
Show InChI InChI=1S/C37H48N10O5/c38-36(39)42-17-3-7-28-14-13-27(20-24-9-12-25-5-1-2-6-26(25)19-24)33(50)44-22-32(49)46-31(21-23-10-15-29(48)16-11-23)35(52)47-30(34(51)45-28)8-4-18-43-37(40)41/h1-2,5-6,9-16,19,27-28,30-31,48H,3-4,7-8,17-18,20-22H2,(H,44,50)(H,45,51)(H,46,49)(H,47,52)(H4,38,39,42)(H4,40,41,43)/b14-13-/t27-,28-,30-,31+/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells


J Med Chem 48: 380-91 (2005)


Article DOI: 10.1021/jm049429h
BindingDB Entry DOI: 10.7270/Q27S7N98
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50410274
PNG
(CHEMBL2096822)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)\C=C/1 |c:52|
Show InChI InChI=1S/C36H46N10O5/c37-34(38)41-17-3-7-27-14-13-26(20-23-9-12-24-5-1-2-6-25(24)19-23)31(48)46-36(51)45-30(21-22-10-15-28(47)16-11-22)33(50)44-29(32(49)43-27)8-4-18-42-35(39)40/h1-2,5-6,9-16,19,26-27,29-30,47H,3-4,7-8,17-18,20-21H2,(H,43,49)(H,44,50)(H4,37,38,41)(H4,39,40,42)(H2,45,46,48,51)/b14-13-/t26-,27+,29+,30-/m1/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells


J Med Chem 48: 380-91 (2005)


Article DOI: 10.1021/jm049429h
BindingDB Entry DOI: 10.7270/Q27S7N98
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50159211
PNG
(CHEMBL192290 | N-{3-[2-(3-Guanidino-propyl)-8-(4-h...)
Show SMILES NC(=N)NCCC[C@H]1CN[C@@H](Cc2ccc3ccccc3c2)C(=O)NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1
Show InChI InChI=1S/C35H47N11O5/c36-33(37)40-15-3-7-25-20-42-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(49)46-35(51)45-29(18-21-10-13-26(47)14-11-21)32(50)44-27(30(48)43-25)8-4-16-41-34(38)39/h1-2,5-6,9-14,17,25,27-29,42,47H,3-4,7-8,15-16,18-20H2,(H,43,48)(H,44,50)(H4,36,37,40)(H4,38,39,41)(H2,45,46,49,51)/t25-,27-,28-,29+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells


J Med Chem 48: 380-91 (2005)


Article DOI: 10.1021/jm049429h
BindingDB Entry DOI: 10.7270/Q27S7N98
More data for this
Ligand-Target Pair