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Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'scholten' and Initial = 'dj'   
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
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380130
PNG
(CHEMBL2013230)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1F
Show InChI InChI=1S/C27H35FN2O4/c1-19(15-20-9-6-7-11-23(20)28)18-30(14-12-22-10-8-13-29(22)2)27(31)21-16-24(32-3)26(34-5)25(17-21)33-4/h6-7,9,11,15-17,22H,8,10,12-14,18H2,1-5H3/b19-15+
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7.94n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50310502
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyri...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C32H27F4N5O3/c1-3-44-24-11-9-23(10-12-24)41-30(39-29-25(31(41)43)7-5-15-38-29)20(2)40(19-22-6-4-14-37-18-22)28(42)17-21-8-13-27(33)26(16-21)32(34,35)36/h4-16,18,20H,3,17,19H2,1-2H3/t20-/m1/s1
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10n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380114
PNG
(CHEMBL2013216)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C=C(/C)c1ccccc1
Show InChI InChI=1S/C27H36N2O4/c1-20(21-10-7-6-8-11-21)13-16-29(17-14-23-12-9-15-28(23)2)27(30)22-18-24(31-3)26(33-5)25(19-22)32-4/h6-8,10-11,13,18-19,23H,9,12,14-17H2,1-5H3/b20-13+
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12.6n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380134
PNG
(CHEMBL2013215)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1
Show InChI InChI=1S/C27H36N2O4/c1-20(16-21-10-7-6-8-11-21)19-29(15-13-23-12-9-14-28(23)2)27(30)22-17-24(31-3)26(33-5)25(18-22)32-4/h6-8,10-11,16-18,23H,9,12-15,19H2,1-5H3/b20-16+
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15.8n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380131
PNG
(CHEMBL2013231)
Show SMILES COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1F
Show InChI InChI=1S/C26H33FN2O3/c1-19(16-20-8-5-6-10-23(20)27)18-29(15-13-22-9-7-14-28(22)2)26(30)21-11-12-24(31-3)25(17-21)32-4/h5-6,8,10-12,16-17,22H,7,9,13-15,18H2,1-4H3/b19-16+
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19.9n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380121
PNG
(CHEMBL2013219)
Show SMILES COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1
Show InChI InChI=1S/C26H34N2O3/c1-20(17-21-9-6-5-7-10-21)19-28(16-14-23-11-8-15-27(23)2)26(29)22-12-13-24(30-3)25(18-22)31-4/h5-7,9-10,12-13,17-18,23H,8,11,14-16,19H2,1-4H3/b20-17+
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25.1n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380123
PNG
(CHEMBL2013222)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccc(F)cc1F
Show InChI InChI=1S/C27H34F2N2O4/c1-18(13-19-8-9-21(28)16-23(19)29)17-31(12-10-22-7-6-11-30(22)2)27(32)20-14-24(33-3)26(35-5)25(15-20)34-4/h8-9,13-16,22H,6-7,10-12,17H2,1-5H3/b18-13+
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31.6n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50399980
PNG
(CHEMBL2181467)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C40H44N4O4/c41-25-13-12-22-35(39(47)42-27-34(29-14-4-1-5-15-29)30-16-6-2-7-17-30)43-40(48)36-26-32-20-10-11-21-33(32)28-44(36)38(46)24-23-37(45)31-18-8-3-9-19-31/h1-11,14-21,34-36H,12-13,22-28,41H2,(H,42,47)(H,43,48)/t35-,36-/m0/s1
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39.8n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380125
PNG
(CHEMBL2013224)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccc(F)cc1
Show InChI InChI=1S/C27H35FN2O4/c1-19(15-20-8-10-22(28)11-9-20)18-30(14-12-23-7-6-13-29(23)2)27(31)21-16-24(32-3)26(34-5)25(17-21)33-4/h8-11,15-17,23H,6-7,12-14,18H2,1-5H3/b19-15+
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50.1n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50399981
PNG
(CHEMBL2181450)
Show SMILES CC1(C)[C@H]2C[C@@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccccc1I)=CC2 |r,c:27|
Show InChI InChI=1S/C25H31IN/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26/h5-13,21,23H,14-17H2,1-4H3/q+1/t21-,23-/m1/s1
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50.1n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50399983
PNG
(CHEMBL2181442)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccccc1Br)=CC2 |r,c:27|
Show InChI InChI=1S/C25H31BrN/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26/h5-13,21,23H,14-17H2,1-4H3/q+1/t21-,23-/m0/s1
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63.1n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50399982
PNG
(CHEMBL2181443)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccccc1I)=CC2 |r,c:27|
Show InChI InChI=1S/C25H31IN/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26/h5-13,21,23H,14-17H2,1-4H3/q+1/t21-,23-/m0/s1
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63.1n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380136
PNG
(CHEMBL2013226)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1cccc(F)c1
Show InChI InChI=1S/C27H35FN2O4/c1-19(14-20-8-6-9-22(28)15-20)18-30(13-11-23-10-7-12-29(23)2)27(31)21-16-24(32-3)26(34-5)25(17-21)33-4/h6,8-9,14-17,23H,7,10-13,18H2,1-5H3/b19-14+
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79.4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380126
PNG
(CHEMBL2013225)
Show SMILES COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccc(F)cc1
Show InChI InChI=1S/C26H33FN2O3/c1-19(16-20-7-10-22(27)11-8-20)18-29(15-13-23-6-5-14-28(23)2)26(30)21-9-12-24(31-3)25(17-21)32-4/h7-12,16-17,23H,5-6,13-15,18H2,1-4H3/b19-16+
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79.4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50399984
PNG
(CHEMBL2181446)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](C[N+](C)(C)Cc1ccc(cc1)-c1ccccc1I)CC2 |r|
Show InChI InChI=1S/C25H33IN/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26/h5-12,20-21,23H,13-17H2,1-4H3/q+1/t20-,21-,23-/m0/s1
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100n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380124
PNG
(CHEMBL2013223)
Show SMILES COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccc(F)cc1F
Show InChI InChI=1S/C26H32F2N2O3/c1-18(14-19-7-9-21(27)16-23(19)28)17-30(13-11-22-6-5-12-29(22)2)26(31)20-8-10-24(32-3)25(15-20)33-4/h7-10,14-16,22H,5-6,11-13,17H2,1-4H3/b18-14+
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100n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380127
PNG
(CHEMBL2013227)
Show SMILES COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1cccc(F)c1
Show InChI InChI=1S/C26H33FN2O3/c1-19(15-20-7-5-8-22(27)16-20)18-29(14-12-23-9-6-13-28(23)2)26(30)21-10-11-24(31-3)25(17-21)32-4/h5,7-8,10-11,15-17,23H,6,9,12-14,18H2,1-4H3/b19-15+
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100n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50399985
PNG
(CHEMBL2181452)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccccc1Cl)=CC2 |r,c:27|
Show InChI InChI=1S/C25H31ClN/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26/h5-13,21,23H,14-17H2,1-4H3/q+1/t21-,23-/m0/s1
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100n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50399986
PNG
(CHEMBL2181441)
Show SMILES COc1ccccc1-c1ccc(C[N+](C)(C)CC2=CC[C@H]3C[C@@H]2C3(C)C)cc1 |r,t:18|
Show InChI InChI=1S/C26H34NO/c1-26(2)22-15-14-21(24(26)16-22)18-27(3,4)17-19-10-12-20(13-11-19)23-8-6-7-9-25(23)28-5/h6-14,22,24H,15-18H2,1-5H3/q+1/t22-,24-/m0/s1
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158n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50399987
PNG
(CHEMBL2181464)
Show SMILES Cc1ccccc1-c1ccc(C[N+](C)(C)CC2=CC[C@H]3C[C@@H]2C3(C)C)cc1 |r,t:17|
Show InChI InChI=1S/C26H34N/c1-19-8-6-7-9-24(19)21-12-10-20(11-13-21)17-27(4,5)18-22-14-15-23-16-25(22)26(23,2)3/h6-14,23,25H,15-18H2,1-5H3/q+1/t23-,25-/m0/s1
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158n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380118
PNG
(CHEMBL2013214)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCCN1CCCCC1C)C\C(C)=C\c1ccccc1
Show InChI InChI=1S/C29H40N2O4/c1-22(18-24-13-7-6-8-14-24)21-31(17-11-16-30-15-10-9-12-23(30)2)29(32)25-19-26(33-3)28(35-5)27(20-25)34-4/h6-8,13-14,18-20,23H,9-12,15-17,21H2,1-5H3/b22-18+
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200n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50399991
PNG
(CHEMBL2181454)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(Cl)cc1)=CC2 |r,c:20|
Show InChI InChI=1S/C19H27ClN/c1-19(2)16-8-7-15(18(19)11-16)13-21(3,4)12-14-5-9-17(20)10-6-14/h5-7,9-10,16,18H,8,11-13H2,1-4H3/q+1/t16-,18-/m0/s1
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200n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50399990
PNG
(CHEMBL2181463)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(c(Cl)c1)-c1ccccc1Cl)=CC2 |r,c:28|
Show InChI InChI=1S/C25H30Cl2N/c1-25(2)19-11-10-18(22(25)14-19)16-28(3,4)15-17-9-12-21(24(27)13-17)20-7-5-6-8-23(20)26/h5-10,12-13,19,22H,11,14-16H2,1-4H3/q+1/t19-,22-/m0/s1
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200n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50399989
PNG
(CHEMBL2181444)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1cccc(Br)c1)=CC2 |r,c:27|
Show InChI InChI=1S/C25H31BrN/c1-25(2)22-13-12-21(24(25)15-22)17-27(3,4)16-18-8-10-19(11-9-18)20-6-5-7-23(26)14-20/h5-12,14,22,24H,13,15-17H2,1-4H3/q+1/t22-,24-/m0/s1
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200n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50399988
PNG
(CHEMBL2181448)
Show SMILES CC1(C)[C@@H]2C[C@H]1C=C(C[N+](C)(C)Cc1ccc(cc1)-c1ccccc1I)C2 |r,t:7|
Show InChI InChI=1S/C25H31IN/c1-25(2)21-13-19(14-22(25)15-21)17-27(3,4)16-18-9-11-20(12-10-18)23-7-5-6-8-24(23)26/h5-13,21-22H,14-17H2,1-4H3/q+1/t21-,22+/m1/s1
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200n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50399993
PNG
(CHEMBL2181457)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1cccc(Cl)c1)=CC2 |r,c:27|
Show InChI InChI=1S/C25H31ClN/c1-25(2)22-13-12-21(24(25)15-22)17-27(3,4)16-18-8-10-19(11-9-18)20-6-5-7-23(26)14-20/h5-12,14,22,24H,13,15-17H2,1-4H3/q+1/t22-,24-/m0/s1
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251n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50399992
PNG
(CHEMBL2181459)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1cc(Cl)ccc1Cl)=CC2 |r,c:28|
Show InChI InChI=1S/C25H30Cl2N/c1-25(2)20-10-9-19(23(25)13-20)16-28(3,4)15-17-5-7-18(8-6-17)22-14-21(26)11-12-24(22)27/h5-9,11-12,14,20,23H,10,13,15-16H2,1-4H3/q+1/t20-,23-/m0/s1
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251n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50399994
PNG
(CHEMBL2181449)
Show SMILES CC1(C)[C@H]2C[C@@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1cccc(Cl)c1)=CC2 |r,c:27|
Show InChI InChI=1S/C25H31ClN/c1-25(2)22-13-12-21(24(25)15-22)17-27(3,4)16-18-8-10-19(11-9-18)20-6-5-7-23(26)14-20/h5-12,14,22,24H,13,15-17H2,1-4H3/q+1/t22-,24-/m1/s1
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316n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380116
PNG
(CHEMBL2013212)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCCN1CCOCC1)C\C(C)=C\c1ccccc1
Show InChI InChI=1S/C27H36N2O5/c1-21(17-22-9-6-5-7-10-22)20-29(12-8-11-28-13-15-34-16-14-28)27(30)23-18-24(31-2)26(33-4)25(19-23)32-3/h5-7,9-10,17-19H,8,11-16,20H2,1-4H3/b21-17+
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398n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50399997
PNG
(CHEMBL2181456)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc-3c(Cc4ccccc-34)c1)=CC2 |r,c:28|
Show InChI InChI=1S/C26H32N/c1-26(2)22-11-10-20(25(26)15-22)17-27(3,4)16-18-9-12-24-21(13-18)14-19-7-5-6-8-23(19)24/h5-10,12-13,22,25H,11,14-17H2,1-4H3/q+1/t22-,25-/m0/s1
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398n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50399996
PNG
(CHEMBL2181458)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1cccc(Cl)c1Cl)=CC2 |r,c:28|
Show InChI InChI=1S/C25H30Cl2N/c1-25(2)20-13-12-19(22(25)14-20)16-28(3,4)15-17-8-10-18(11-9-17)21-6-5-7-23(26)24(21)27/h5-12,20,22H,13-16H2,1-4H3/q+1/t20-,22-/m0/s1
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398n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50399995
PNG
(CHEMBL2181460)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1c(Cl)cccc1Cl)=CC2 |r,c:28|
Show InChI InChI=1S/C25H30Cl2N/c1-25(2)20-13-12-19(21(25)14-20)16-28(3,4)15-17-8-10-18(11-9-17)24-22(26)6-5-7-23(24)27/h5-12,20-21H,13-16H2,1-4H3/q+1/t20-,21-/m0/s1
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398n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50399999
PNG
(CHEMBL2181445)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](C[N+](C)(C)Cc1ccc(cc1)-c1cccc(Cl)c1)CC2 |r|
Show InChI InChI=1S/C25H33ClN/c1-25(2)22-13-12-21(24(25)15-22)17-27(3,4)16-18-8-10-19(11-9-18)20-6-5-7-23(26)14-20/h5-11,14,21-22,24H,12-13,15-17H2,1-4H3/q+1/t21-,22-,24-/m0/s1
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501n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50400000
PNG
(CHEMBL2181462)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(c(Cl)c1)-c1cccc(Cl)c1)=CC2 |r,c:28|
Show InChI InChI=1S/C25H30Cl2N/c1-25(2)20-10-9-19(23(25)14-20)16-28(3,4)15-17-8-11-22(24(27)12-17)18-6-5-7-21(26)13-18/h5-9,11-13,20,23H,10,14-16H2,1-4H3/q+1/t20-,23-/m0/s1
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501n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50400001
PNG
(CHEMBL2181451)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccccc1F)=CC2 |r,c:27|
Show InChI InChI=1S/C25H31FN/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26/h5-13,21,23H,14-17H2,1-4H3/q+1/t21-,23-/m0/s1
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501n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50399998
PNG
(CHEMBL2181447)
Show SMILES CC1(C)[C@@H]2C[C@H]1C=C(C[N+](C)(C)Cc1ccc(cc1)-c1cccc(Cl)c1)C2 |r,t:7|
Show InChI InChI=1S/C25H31ClN/c1-25(2)22-12-19(13-23(25)15-22)17-27(3,4)16-18-8-10-20(11-9-18)21-6-5-7-24(26)14-21/h5-12,14,22-23H,13,15-17H2,1-4H3/q+1/t22-,23+/m1/s1
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501n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50400002
PNG
(CHEMBL2181461)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(c(Cl)c1)-c1ccccc1)=CC2 |r,c:27|
Show InChI InChI=1S/C25H31ClN/c1-25(2)21-12-11-20(23(25)15-21)17-27(3,4)16-18-10-13-22(24(26)14-18)19-8-6-5-7-9-19/h5-11,13-14,21,23H,12,15-17H2,1-4H3/q+1/t21-,23-/m0/s1
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631n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50400003
PNG
(CHEMBL2181455)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccccc1)=CC2 |r,c:26|
Show InChI InChI=1S/C25H32N/c1-25(2)23-15-14-22(24(25)16-23)18-26(3,4)17-19-10-12-21(13-11-19)20-8-6-5-7-9-20/h5-14,23-24H,15-18H2,1-4H3/q+1/t23-,24-/m0/s1
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631n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380122
PNG
(CHEMBL2013220)
Show SMILES COc1ccc(cc1C)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1
Show InChI InChI=1S/C26H34N2O2/c1-20(17-22-9-6-5-7-10-22)19-28(16-14-24-11-8-15-27(24)3)26(29)23-12-13-25(30-4)21(2)18-23/h5-7,9-10,12-13,17-18,24H,8,11,14-16,19H2,1-4H3/b20-17+
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794n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380119
PNG
(CHEMBL2013217)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C=C\c1ccccc1
Show InChI InChI=1S/C26H34N2O4/c1-27-15-9-13-22(27)14-17-28(16-8-12-20-10-6-5-7-11-20)26(29)21-18-23(30-2)25(32-4)24(19-21)31-3/h5-8,10-12,18-19,22H,9,13-17H2,1-4H3/b12-8+
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794n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380135
PNG
(CHEMBL2013221)
Show SMILES CN1CCCC1CCN(C\C(C)=C\c1ccccc1)C(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C26H32N2O3/c1-20(17-21-7-4-3-5-8-21)19-28(14-12-23-9-6-13-27(23)2)26(29)22-10-11-24-25(18-22)31-16-15-30-24/h3-5,7-8,10-11,17-18,23H,6,9,12-16,19H2,1-2H3/b20-17+
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794n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50400004
PNG
(CHEMBL2181465)
Show SMILES Cc1cccc(C)c1-c1ccc(C[N+](C)(C)CC2=CC[C@H]3C[C@@H]2C3(C)C)cc1 |r,t:18|
Show InChI InChI=1S/C27H36N/c1-19-8-7-9-20(2)26(19)22-12-10-21(11-13-22)17-28(5,6)18-23-14-15-24-16-25(23)27(24,3)4/h7-14,24-25H,15-18H2,1-6H3/q+1/t24-,25-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380120
PNG
(CHEMBL2013218)
Show SMILES COc1ccc(C(=O)N(CCC2CCCN2C)C\C(C)=C\c2ccccc2)c(OC)c1
Show InChI InChI=1S/C26H34N2O3/c1-20(17-21-9-6-5-7-10-21)19-28(16-14-22-11-8-15-27(22)2)26(29)24-13-12-23(30-3)18-25(24)31-4/h5-7,9-10,12-13,17-18,22H,8,11,14-16,19H2,1-4H3/b20-17+
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1.26E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380137
PNG
(CHEMBL2013232)
Show SMILES COc1ccc(\C=C(/C)CN(CCC2CCCN2C)C(=O)c2cc(OC)c(OC)c(OC)c2)c(F)c1
Show InChI InChI=1S/C28H37FN2O5/c1-19(14-20-9-10-23(33-3)17-24(20)29)18-31(13-11-22-8-7-12-30(22)2)28(32)21-15-25(34-4)27(36-6)26(16-21)35-5/h9-10,14-17,22H,7-8,11-13,18H2,1-6H3/b19-14+
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1.26E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380132
PNG
(CHEMBL2010828)
Show SMILES COc1ccc(\C=C(/C)CN(CCC2CCCN2C)C(=O)c2ccc(OC)c(OC)c2)c(F)c1
Show InChI InChI=1S/C27H35FN2O4/c1-19(15-20-8-10-23(32-3)17-24(20)28)18-30(14-12-22-7-6-13-29(22)2)27(31)21-9-11-25(33-4)26(16-21)34-5/h8-11,15-17,22H,6-7,12-14,18H2,1-5H3/b19-15+
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1.26E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380117
PNG
(CHEMBL2013213)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCCO)C\C(C)=C\c1ccccc1
Show InChI InChI=1S/C23H29NO5/c1-17(13-18-9-6-5-7-10-18)16-24(11-8-12-25)23(26)19-14-20(27-2)22(29-4)21(15-19)28-3/h5-7,9-10,13-15,25H,8,11-12,16H2,1-4H3/b17-13+
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1.58E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380115
PNG
(CHEMBL2013233)
Show SMILES CN1CCCC1CCN(C\C(C)=C\c1ccc(F)cc1F)C(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C26H30F2N2O3/c1-18(14-19-5-7-21(27)16-23(19)28)17-30(11-9-22-4-3-10-29(22)2)26(31)20-6-8-24-25(15-20)33-13-12-32-24/h5-8,14-16,22H,3-4,9-13,17H2,1-2H3/b18-14+
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1.58E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50400005
PNG
(CHEMBL2181466)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccccc1O)=CC2 |r,c:27|
Show InChI InChI=1S/C25H31NO/c1-25(2)21-14-13-20(23(25)15-21)17-26(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)27/h5-13,21,23H,14-17H2,1-4H3/p+1/t21-,23-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50400006
PNG
(CHEMBL2181453)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccccc1)=CC2 |r,c:19|
Show InChI InChI=1S/C19H28N/c1-19(2)17-11-10-16(18(19)12-17)14-20(3,4)13-15-8-6-5-7-9-15/h5-10,17-18H,11-14H2,1-4H3/q+1/t17-,18-/m0/s1
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2.51E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380133
PNG
(CHEMBL2013234)
Show SMILES CN1CCCC1CCN(C\C(C)=C\c1ccc(F)cc1F)C(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C25H28F2N2O3/c1-17(12-18-5-7-20(26)14-22(18)27)15-29(11-9-21-4-3-10-28(21)2)25(30)19-6-8-23-24(13-19)32-16-31-23/h5-8,12-14,21H,3-4,9-11,15-16H2,1-2H3/b17-12+
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3.16E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
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