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Compile Data Set for Download or QSAR

Found 84 hits Enz. Inhib. hit(s) with all data for entry = 50040836   
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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211114
PNG
((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 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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126n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


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


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211114
PNG
((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/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]-CXCL11 from human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400920
PNG
(CHEMBL2205066)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O)=CC2 |r,c:29,THB:7:6:4:1|
Show InChI InChI=1S/C25H31N2O2/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(14-20)26(28)29/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400912
PNG
(CHEMBL2205058)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccsc1)=CC2 |r,c:25,THB:7:6:4:1|
Show InChI InChI=1S/C23H30NS/c1-23(2)21-10-9-19(22(23)13-21)15-24(3,4)14-17-5-7-18(8-6-17)20-11-12-25-16-20/h5-9,11-12,16,21-22H,10,13-15H2,1-4H3/q+1/t21-,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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400915
PNG
(CHEMBL2205057)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccoc1)=CC2 |r,c:25,THB:7:6:4:1|
Show InChI InChI=1S/C23H30NO/c1-23(2)21-10-9-19(22(23)13-21)15-24(3,4)14-17-5-7-18(8-6-17)20-11-12-25-16-20/h5-9,11-12,16,21-22H,10,13-15H2,1-4H3/q+1/t21-,22-/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400913
PNG
(CHEMBL2205704)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(I)cc1)=CC2 |r,c:20,THB:7:6:4:1|
Show InChI InChI=1S/C19H27IN/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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251n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


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


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 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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316n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL11 from human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400927
PNG
(CHEMBL2205059)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1cccc(F)c1)=CC2 |r,c:27,THB:7:6:4:1|
Show InChI InChI=1S/C25H31FN/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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316n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


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


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400934
PNG
(CHEMBL2205073)
Show SMILES CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(cc1)-c1cc(Cl)cc(Cl)c1 |r,t:3,TLB:2:3:7:9|
Show InChI InChI=1S/C24H27Cl2N/c1-24(2)20-9-8-18(23(24)12-20)15-27(3)14-16-4-6-17(7-5-16)19-10-21(25)13-22(26)11-19/h4-8,10-11,13,20,23H,9,12,14-15H2,1-3H3/t20-,23-/m0/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400935
PNG
(CHEMBL2205072)
Show SMILES CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(cc1)-c1ccc(Cl)cc1 |r,t:3,TLB:2:3:7:9|
Show InChI InChI=1S/C24H28ClN/c1-24(2)21-11-8-20(23(24)14-21)16-26(3)15-17-4-6-18(7-5-17)19-9-12-22(25)13-10-19/h4-10,12-13,21,23H,11,14-16H2,1-3H3/t21-,23-/m0/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400938
PNG
(CHEMBL2205069)
Show SMILES CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(cc1)-c1cccc(O)c1 |r,t:3,TLB:2:3:7:9|
Show InChI InChI=1S/C24H29NO/c1-24(2)21-12-11-20(23(24)14-21)16-25(3)15-17-7-9-18(10-8-17)19-5-4-6-22(26)13-19/h4-11,13,21,23,26H,12,14-16H2,1-3H3/t21-,23-/m0/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400940
PNG
(CHEMBL2205688)
Show SMILES CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(cc1)-c1cccc(C)c1 |r,t:3,TLB:2:3:7:9|
Show InChI InChI=1S/C25H31N/c1-18-6-5-7-21(14-18)20-10-8-19(9-11-20)16-26(4)17-22-12-13-23-15-24(22)25(23,2)3/h5-12,14,23-24H,13,15-17H2,1-4H3/t23-,24-/m0/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400941
PNG
(CHEMBL2205687)
Show SMILES COc1ccc(cc1OC)-c1ccc(CN(C)CC2=CC[C@H]3C[C@@H]2C3(C)C)cc1 |r,t:19,TLB:17:18:22:24|
Show InChI InChI=1S/C26H33NO2/c1-26(2)22-12-10-21(23(26)15-22)17-27(3)16-18-6-8-19(9-7-18)20-11-13-24(28-4)25(14-20)29-5/h6-11,13-14,22-23H,12,15-17H2,1-5H3/t22-,23-/m0/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400942
PNG
(CHEMBL2205686)
Show SMILES CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(cc1)-c1cccc(c1)C(C)=O |r,t:3,TLB:2:3:7:9|
Show InChI InChI=1S/C26H31NO/c1-18(28)21-6-5-7-22(14-21)20-10-8-19(9-11-20)16-27(4)17-23-12-13-24-15-25(23)26(24,2)3/h5-12,14,24-25H,13,15-17H2,1-4H3/t24-,25-/m0/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400943
PNG
(CHEMBL2205086)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(CN(C)CC2=CC[C@H]3C[C@@H]2C3(C)C)cc1 |r,t:19,TLB:17:18:22:24|
Show InChI InChI=1S/C26H31NO2/c1-26(2)23-13-12-22(24(26)15-23)17-27(3)16-18-8-10-19(11-9-18)20-6-5-7-21(14-20)25(28)29-4/h5-12,14,23-24H,13,15-17H2,1-4H3/t23-,24-/m0/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400944
PNG
(CHEMBL2205085)
Show SMILES CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F |r,t:3,TLB:2:3:7:9|
Show InChI InChI=1S/C25H28F3N/c1-24(2)22-13-10-20(23(24)14-22)16-29(3)15-17-4-6-18(7-5-17)19-8-11-21(12-9-19)25(26,27)28/h4-12,22-23H,13-16H2,1-3H3/t22-,23-/m0/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400945
PNG
(CHEMBL2205084)
Show SMILES CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,t:3,TLB:2:3:7:9|
Show InChI InChI=1S/C25H28F3N/c1-24(2)21-12-11-20(23(24)14-21)16-29(3)15-17-7-9-18(10-8-17)19-5-4-6-22(13-19)25(26,27)28/h4-11,13,21,23H,12,14-16H2,1-3H3/t21-,23-/m0/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400946
PNG
(CHEMBL2205083)
Show SMILES CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(cc1)-c1ccccc1F |r,t:3,TLB:2:3:7:9|
Show InChI InChI=1S/C24H28FN/c1-24(2)20-13-12-19(22(24)14-20)16-26(3)15-17-8-10-18(11-9-17)21-6-4-5-7-23(21)25/h4-12,20,22H,13-16H2,1-3H3/t20-,22-/m0/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400948
PNG
(CHEMBL2205081)
Show SMILES CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc2oc3ccccc3c2c1 |r,t:3,TLB:2:3:7:9|
Show InChI InChI=1S/C24H27NO/c1-24(2)18-10-9-17(21(24)13-18)15-25(3)14-16-8-11-23-20(12-16)19-6-4-5-7-22(19)26-23/h4-9,11-12,18,21H,10,13-15H2,1-3H3/t18-,21-/m0/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400949
PNG
(CHEMBL2205080)
Show SMILES CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc2c(c1)n(C)c1ccccc21 |r,t:3,TLB:2:3:7:9|
Show InChI InChI=1S/C25H30N2/c1-25(2)19-11-10-18(22(25)14-19)16-26(3)15-17-9-12-21-20-7-5-6-8-23(20)27(4)24(21)13-17/h5-10,12-13,19,22H,11,14-16H2,1-4H3/t19-,22-/m0/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400950
PNG
(CHEMBL2203305)
Show SMILES CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc-2c(Cc3ccccc-23)c1 |r,t:3,TLB:2:3:7:9|
Show InChI InChI=1S/C25H29N/c1-25(2)21-10-9-19(24(25)14-21)16-26(3)15-17-8-11-23-20(12-17)13-18-6-4-5-7-22(18)23/h4-9,11-12,21,24H,10,13-16H2,1-3H3/t21-,24-/m0/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400951
PNG
(CHEMBL2205699)
Show SMILES CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(Oc2ccccc2)cc1 |r,t:3,TLB:2:3:7:9|
Show InChI InChI=1S/C24H29NO/c1-24(2)20-12-11-19(23(24)15-20)17-25(3)16-18-9-13-22(14-10-18)26-21-7-5-4-6-8-21/h4-11,13-14,20,23H,12,15-17H2,1-3H3/t20-,23-/m0/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400952
PNG
(CHEMBL2205698)
Show SMILES CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1cccc(c1)-c1ccccc1 |r,t:3,TLB:2:3:7:9|
Show InChI InChI=1S/C24H29N/c1-24(2)22-13-12-21(23(24)15-22)17-25(3)16-18-8-7-11-20(14-18)19-9-5-4-6-10-19/h4-12,14,22-23H,13,15-17H2,1-3H3/t22-,23-/m0/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 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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316n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


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


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400955
PNG
(CHEMBL2205695)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(Br)cc1)=CC2 |r,c:20,THB:7:6:4:1|
Show InChI InChI=1S/C19H27BrN/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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316n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


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


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400912
PNG
(CHEMBL2205058)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccsc1)=CC2 |r,c:25,THB:7:6:4:1|
Show InChI InChI=1S/C23H30NS/c1-23(2)21-10-9-19(22(23)13-21)15-24(3,4)14-17-5-7-18(8-6-17)20-11-12-25-16-20/h5-9,11-12,16,21-22H,10,13-15H2,1-4H3/q+1/t21-,22-/m0/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]-CXCL11 from human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400954
PNG
(CHEMBL2205696)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(Cl)c(Cl)c1)=CC2 |r,c:21,THB:7:6:4:1|
Show InChI InChI=1S/C19H26Cl2N/c1-19(2)15-7-6-14(16(19)10-15)12-22(3,4)11-13-5-8-17(20)18(21)9-13/h5-6,8-9,15-16H,7,10-12H2,1-4H3/q+1/t15-,16-/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400921
PNG
(CHEMBL2205065)
Show SMILES Cc1cccc(c1)-c1ccc(C[N+](C)(C)CC2=CC[C@H]3C[C@@H]2C3(C)C)cc1 |r,t:17,TLB:15:16:20:22|
Show InChI InChI=1S/C26H34N/c1-19-7-6-8-22(15-19)21-11-9-20(10-12-21)17-27(4,5)18-23-13-14-24-16-25(23)26(24,2)3/h6-13,15,24-25H,14,16-18H2,1-5H3/q+1/t24-,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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400916
PNG
(CHEMBL2205056)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1cc(Cl)cc(Cl)c1)=CC2 |r,c:28,THB:7:6:4:1|
Show InChI InChI=1S/C25H30Cl2N/c1-25(2)21-10-9-19(24(25)13-21)16-28(3,4)15-17-5-7-18(8-6-17)20-11-22(26)14-23(27)12-20/h5-9,11-12,14,21,24H,10,13,15-16H2,1-4H3/q+1/t21-,24-/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400913
PNG
(CHEMBL2205704)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(I)cc1)=CC2 |r,c:20,THB:7:6:4:1|
Show InChI InChI=1S/C19H27IN/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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398n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL11 from human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400922
PNG
(CHEMBL2205064)
Show SMILES COc1ccc(cc1OC)-c1ccc(C[N+](C)(C)CC2=CC[C@H]3C[C@@H]2C3(C)C)cc1 |r,t:20,TLB:18:19:23:25|
Show InChI InChI=1S/C27H36NO2/c1-27(2)23-13-11-22(24(27)16-23)18-28(3,4)17-19-7-9-20(10-8-19)21-12-14-25(29-5)26(15-21)30-6/h7-12,14-15,23-24H,13,16-18H2,1-6H3/q+1/t23-,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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400926
PNG
(CHEMBL2205060)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)=CC2 |r,c:30,THB:7:6:4:1|
Show InChI InChI=1S/C26H31F3N/c1-25(2)22-13-12-21(24(25)15-22)17-30(3,4)16-18-8-10-19(11-9-18)20-6-5-7-23(14-20)26(27,28)29/h5-12,14,22,24H,13,15-17H2,1-4H3/q+1/t22-,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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 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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501n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


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


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400928
PNG
(CHEMBL2205079)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc3oc4ccccc4c3c1)=CC2 |r,c:28,THB:7:6:4:1|
Show InChI InChI=1S/C25H30NO/c1-25(2)19-11-10-18(22(25)14-19)16-26(3,4)15-17-9-12-24-21(13-17)20-7-5-6-8-23(20)27-24/h5-10,12-13,19,22H,11,14-16H2,1-4H3/q+1/t19-,22-/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 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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501n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL11 from human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400917
PNG
(CHEMBL2205055)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccc(Cl)cc1)=CC2 |r,c:27,THB:7:6:4:1|
Show InChI InChI=1S/C25H31ClN/c1-25(2)22-12-9-21(24(25)15-22)17-27(3,4)16-18-5-7-19(8-6-18)20-10-13-23(26)14-11-20/h5-11,13-14,22,24H,12,15-17H2,1-4H3/q+1/t22-,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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400973
PNG
(CHEMBL2205701)
Show SMILES C[N+](C)(CCC12CC3CC(CC(C3)C1)C2)Cc1ccc(I)cc1 |TLB:4:5:8.7.12:10,THB:4:5:8:12.11.10,13:5:8:12.11.10,13:11:8:14.6.5,6:7:10:14.5.13,6:5:8.7.12:10|
Show InChI InChI=1S/C21H31IN/c1-23(2,15-16-3-5-20(22)6-4-16)8-7-21-12-17-9-18(13-21)11-19(10-17)14-21/h3-6,17-19H,7-15H2,1-2H3/q+1
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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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400923
PNG
(CHEMBL2205063)
Show SMILES CC(=O)c1cccc(c1)-c1ccc(C[N+](C)(C)CC2=CC[C@H]3C[C@@H]2C3(C)C)cc1 |r,t:19,TLB:17:18:22:24|
Show InChI InChI=1S/C27H34NO/c1-19(29)22-7-6-8-23(15-22)21-11-9-20(10-12-21)17-28(4,5)18-24-13-14-25-16-26(24)27(25,2)3/h6-13,15,25-26H,14,16-18H2,1-5H3/q+1/t25-,26-/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400970
PNG
(CHEMBL2205705)
Show SMILES CC[N+](C)(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(I)cc1 |r,t:5,TLB:4:5:9:11|
Show InChI InChI=1S/C20H29IN/c1-5-22(4,13-15-6-10-18(21)11-7-15)14-16-8-9-17-12-19(16)20(17,2)3/h6-8,10-11,17,19H,5,9,12-14H2,1-4H3/q+1/t17-,19-,22?/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 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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631n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


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


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400975
PNG
(CHEMBL2205723)
Show SMILES C[N+](C)(CC1C2CC3CC(C2)CC1C3)Cc1ccc(I)cc1 |TLB:10:9:13:6.5.4,10:5:8.9.11:13,THB:4:5:8:11.12.13,4:12:8:6.10.5,3:4:8.9.11:13,(9.05,-42.84,;9.84,-41.52,;10.6,-42.84,;8.5,-40.76,;7.17,-41.54,;7.16,-43.07,;5.76,-43.42,;4.43,-42.93,;3.23,-44.21,;4.74,-43.79,;6.14,-44.35,;4.73,-42.2,;5.77,-40.97,;4.42,-41.44,;11.17,-40.73,;12.51,-41.49,;12.51,-43.03,;13.85,-43.79,;15.18,-43.01,;16.53,-43.76,;15.16,-41.46,;13.82,-40.7,)|
Show InChI InChI=1S/C20H29IN/c1-22(2,12-14-3-5-19(21)6-4-14)13-20-17-8-15-7-16(10-17)11-18(20)9-15/h3-6,15-18,20H,7-13H2,1-2H3/q+1
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794n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


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


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400929
PNG
(CHEMBL2205078)
Show SMILES Cn1c2ccccc2c2ccc(C[N+](C)(C)CC3=CC[C@H]4C[C@@H]3C4(C)C)cc12 |r,t:18,TLB:16:17:21:23|
Show InChI InChI=1S/C26H33N2/c1-26(2)20-12-11-19(23(26)15-20)17-28(4,5)16-18-10-13-22-21-8-6-7-9-24(21)27(3)25(22)14-18/h6-11,13-14,20,23H,12,15-17H2,1-5H3/q+1/t20-,23-/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400953
PNG
(CHEMBL2205697)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)CCc1ccc(Cl)cc1)=CC2 |r,c:21,THB:7:6:4:1|
Show InChI InChI=1S/C20H29ClN/c1-20(2)17-8-7-16(19(20)13-17)14-22(3,4)12-11-15-5-9-18(21)10-6-15/h5-7,9-10,17,19H,8,11-14H2,1-4H3/q+1/t17-,19-/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400972
PNG
(CHEMBL2205702)
Show SMILES C[N+](C)(Cc1ccc(I)cc1)C\C1=C\CCCCCC1 |t:13|
Show InChI InChI=1S/C18H27IN/c1-20(2,15-17-10-12-18(19)13-11-17)14-16-8-6-4-3-5-7-9-16/h8,10-13H,3-7,9,14-15H2,1-2H3/q+1/b16-8+
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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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400924
PNG
(CHEMBL2205062)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(C[N+](C)(C)CC2=CC[C@H]3C[C@@H]2C3(C)C)cc1 |r,t:20,TLB:18:19:23:25|
Show InChI InChI=1S/C27H34NO2/c1-27(2)24-14-13-23(25(27)16-24)18-28(3,4)17-19-9-11-20(12-10-19)21-7-6-8-22(15-21)26(29)30-5/h6-13,15,24-25H,14,16-18H2,1-5H3/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 human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400925
PNG
(CHEMBL2205061)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)=CC2 |r,c:30,THB:7:6:4:1|
Show InChI InChI=1S/C26H31F3N/c1-25(2)23-14-11-21(24(25)15-23)17-30(3,4)16-18-5-7-19(8-6-18)20-9-12-22(13-10-20)26(27,28)29/h5-13,23-24H,14-17H2,1-4H3/q+1/t23-,24-/m0/s1
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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]-CXCL10 from human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400956
PNG
(CHEMBL2205694)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(F)cc1)=CC2 |r,c:20,THB:7:6:4:1|
Show InChI InChI=1S/C19H27FN/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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1.26E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


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


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50400971
PNG
(CHEMBL2205703)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)C(C[N+](C)(C)Cc1ccc(I)cc1)C2 |r,THB:9:8:5.4:1|
Show InChI InChI=1S/C20H31IN/c1-19(2)16-10-11-20(19,3)17(12-16)14-22(4,5)13-15-6-8-18(21)9-7-15/h6-9,16-17H,10-14H2,1-5H3/q+1/t16-,17?,20+/m1/s1
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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]-CXCL10 from human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
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