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Compile Data Set for Download or QSAR

Found 56 hits of ec50 for UniProtKB: P49682   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159725
PNG
(CHEMBL3787077)
Show SMILES OC(=O)C(F)(F)F.N[C@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C40H44N4O4.C2HF3O2/c41-35(39(47)43-27-34(29-14-4-1-5-15-29)30-16-6-2-7-17-30)22-12-13-25-42-40(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;3-2(4,5)1(6)7/h1-11,14-21,34-36H,12-13,22-28,41H2,(H,42,48)(H,43,47);(H,6,7)/t35-,36+;/m1./s1
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n/an/an/an/a 9.80n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CXCR3 expressed in HEK293T cell membranes after 30 mins by [35S]GTPgammaS incorporation assay

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159739
PNG
(CHEMBL3786459)
Show SMILES COc1ccc(cc1OC)C(=O)CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C47H56N4O8/c1-47(2,3)59-46(56)50-38(44(54)49-30-37(32-16-8-6-9-17-32)33-18-10-7-11-19-33)22-14-15-27-48-45(55)39-28-34-20-12-13-21-36(34)31-51(39)43(53)26-24-40(52)35-23-25-41(57-4)42(29-35)58-5/h6-13,16-21,23,25,29,37-39H,14-15,22,24,26-28,30-31H2,1-5H3,(H,48,55)(H,49,54)(H,50,56)/t38-,39-/m0/s1
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n/an/an/an/a 50n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CXCR3 expressed in HEK293T cell membranes after 30 mins by [35S]GTPgammaS incorporation assay

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159701
PNG
(CHEMBL3786631)
Show SMILES CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C45H52N4O6/c1-45(2,3)55-44(54)46-28-16-15-25-38(42(52)47-30-37(32-17-7-4-8-18-32)33-19-9-5-10-20-33)48-43(53)39-29-35-23-13-14-24-36(35)31-49(39)41(51)27-26-40(50)34-21-11-6-12-22-34/h4-14,17-24,37-39H,15-16,25-31H2,1-3H3,(H,46,54)(H,47,52)(H,48,53)/t38-,39+/m1/s1
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n/an/an/an/a 59n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink2-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159706
PNG
(CHEMBL3787609)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C44H52N4O5/c1-44(2,3)53-43(52)47-38(41(50)46-30-37(33-19-9-5-10-20-33)34-21-11-6-12-22-34)25-15-16-28-45-42(51)39-29-35-23-13-14-24-36(35)31-48(39)40(49)27-26-32-17-7-4-8-18-32/h4-14,17-24,37-39H,15-16,25-31H2,1-3H3,(H,45,51)(H,46,50)(H,47,52)/t38-,39-/m0/s1
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n/an/an/an/a 61.7n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink1-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159706
PNG
(CHEMBL3787609)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C44H52N4O5/c1-44(2,3)53-43(52)47-38(41(50)46-30-37(33-19-9-5-10-20-33)34-21-11-6-12-22-34)25-15-16-28-45-42(51)39-29-35-23-13-14-24-36(35)31-48(39)40(49)27-26-32-17-7-4-8-18-32/h4-14,17-24,37-39H,15-16,25-31H2,1-3H3,(H,45,51)(H,46,50)(H,47,52)/t38-,39-/m0/s1
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n/an/an/an/a 62n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink1-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159725
PNG
(CHEMBL3787077)
Show SMILES OC(=O)C(F)(F)F.N[C@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C40H44N4O4.C2HF3O2/c41-35(39(47)43-27-34(29-14-4-1-5-15-29)30-16-6-2-7-17-30)22-12-13-25-42-40(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;3-2(4,5)1(6)7/h1-11,14-21,34-36H,12-13,22-28,41H2,(H,42,48)(H,43,47);(H,6,7)/t35-,36+;/m1./s1
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n/an/an/an/a 69n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink1-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159721
PNG
(CHEMBL3786480)
Show SMILES CC(C)(C)OC(=O)N[C@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C45H52N4O6/c1-45(2,3)55-44(54)48-38(42(52)47-30-37(32-17-7-4-8-18-32)33-19-9-5-10-20-33)25-15-16-28-46-43(53)39-29-35-23-13-14-24-36(35)31-49(39)41(51)27-26-40(50)34-21-11-6-12-22-34/h4-14,17-24,37-39H,15-16,25-31H2,1-3H3,(H,46,53)(H,47,52)(H,48,54)/t38-,39+/m1/s1
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n/an/an/an/a 112n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink1-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159709
PNG
(CHEMBL3785622)
Show SMILES OC(=O)C(F)(F)F.N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C41H46N4O4.C2HF3O2/c42-36(40(48)44-28-35(30-15-4-1-5-16-30)31-17-6-2-7-18-31)23-12-13-26-43-41(49)37-27-33-21-10-11-22-34(33)29-45(37)39(47)25-14-24-38(46)32-19-8-3-9-20-32;3-2(4,5)1(6)7/h1-11,15-22,35-37H,12-14,23-29,42H2,(H,43,49)(H,44,48);(H,6,7)/t36-,37-;/m0./s1
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n/an/an/an/a 126n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink2-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159721
PNG
(CHEMBL3786480)
Show SMILES CC(C)(C)OC(=O)N[C@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C45H52N4O6/c1-45(2,3)55-44(54)48-38(42(52)47-30-37(32-17-7-4-8-18-32)33-19-9-5-10-20-33)25-15-16-28-46-43(53)39-29-35-23-13-14-24-36(35)31-49(39)41(51)27-26-40(50)34-21-11-6-12-22-34/h4-14,17-24,37-39H,15-16,25-31H2,1-3H3,(H,46,53)(H,47,52)(H,48,54)/t38-,39+/m1/s1
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n/an/an/an/a 138n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink2-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159707
PNG
(CHEMBL3786152)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C46H54N4O6/c1-46(2,3)56-45(55)49-39(43(53)48-31-38(33-18-7-4-8-19-33)34-20-9-5-10-21-34)26-15-16-29-47-44(54)40-30-36-24-13-14-25-37(36)32-50(40)42(52)28-17-27-41(51)35-22-11-6-12-23-35/h4-14,18-25,38-40H,15-17,26-32H2,1-3H3,(H,47,54)(H,48,53)(H,49,55)/t39-,40-/m0/s1
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n/an/an/an/a 145n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink1-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159718
PNG
(CHEMBL3787326)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C30H36N4O2.2C2HF3O2/c31-27(17-9-10-18-32-30(36)28-19-24-15-7-8-16-25(24)20-33-28)29(35)34-21-26(22-11-3-1-4-12-22)23-13-5-2-6-14-23;2*3-2(4,5)1(6)7/h1-8,11-16,26-28,33H,9-10,17-21,31H2,(H,32,36)(H,34,35);2*(H,6,7)/t27-,28-;;/m0../s1
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n/an/an/an/a 158n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink1-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159708
PNG
(CHEMBL3786535)
Show SMILES OC(=O)C(F)(F)F.N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C40H44N4O4.C2HF3O2/c41-35(39(47)43-27-34(29-14-4-1-5-15-29)30-16-6-2-7-17-30)22-12-13-25-42-40(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;3-2(4,5)1(6)7/h1-11,14-21,34-36H,12-13,22-28,41H2,(H,42,48)(H,43,47);(H,6,7)/t35-,36-;/m0./s1
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n/an/an/an/a 158n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink1-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159705
PNG
(CHEMBL3786864)
Show SMILES CC(=O)CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C40H50N4O6/c1-28(45)22-23-36(46)44-27-32-20-12-11-19-31(32)25-35(44)38(48)41-24-14-13-21-34(43-39(49)50-40(2,3)4)37(47)42-26-33(29-15-7-5-8-16-29)30-17-9-6-10-18-30/h5-12,15-20,33-35H,13-14,21-27H2,1-4H3,(H,41,48)(H,42,47)(H,43,49)/t34-,35-/m0/s1
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n/an/an/an/a 166n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink1-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159707
PNG
(CHEMBL3786152)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C46H54N4O6/c1-46(2,3)56-45(55)49-39(43(53)48-31-38(33-18-7-4-8-19-33)34-20-9-5-10-21-34)26-15-16-29-47-44(54)40-30-36-24-13-14-25-37(36)32-50(40)42(52)28-17-27-41(51)35-22-11-6-12-23-35/h4-14,18-25,38-40H,15-17,26-32H2,1-3H3,(H,47,54)(H,48,53)(H,49,55)/t39-,40-/m0/s1
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n/an/an/an/a 166n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink2-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159709
PNG
(CHEMBL3785622)
Show SMILES OC(=O)C(F)(F)F.N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C41H46N4O4.C2HF3O2/c42-36(40(48)44-28-35(30-15-4-1-5-16-30)31-17-6-2-7-18-31)23-12-13-26-43-41(49)37-27-33-21-10-11-22-34(33)29-45(37)39(47)25-14-24-38(46)32-19-8-3-9-20-32;3-2(4,5)1(6)7/h1-11,15-22,35-37H,12-14,23-29,42H2,(H,43,49)(H,44,48);(H,6,7)/t36-,37-;/m0./s1
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n/an/an/an/a 186n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink1-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159703
PNG
(CHEMBL3787404)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C35H44N4O4/c1-35(2,3)43-34(42)39-30(20-12-13-21-36-33(41)31-22-27-18-10-11-19-28(27)23-37-31)32(40)38-24-29(25-14-6-4-7-15-25)26-16-8-5-9-17-26/h4-11,14-19,29-31,37H,12-13,20-24H2,1-3H3,(H,36,41)(H,38,40)(H,39,42)/t30-,31-/m0/s1
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n/an/an/an/a 194n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink2-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159706
PNG
(CHEMBL3787609)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C44H52N4O5/c1-44(2,3)53-43(52)47-38(41(50)46-30-37(33-19-9-5-10-20-33)34-21-11-6-12-22-34)25-15-16-28-45-42(51)39-29-35-23-13-14-24-36(35)31-48(39)40(49)27-26-32-17-7-4-8-18-32/h4-14,17-24,37-39H,15-16,25-31H2,1-3H3,(H,45,51)(H,46,50)(H,47,52)/t38-,39-/m0/s1
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n/an/an/an/a 195n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink2-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159703
PNG
(CHEMBL3787404)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C35H44N4O4/c1-35(2,3)43-34(42)39-30(20-12-13-21-36-33(41)31-22-27-18-10-11-19-28(27)23-37-31)32(40)38-24-29(25-14-6-4-7-15-25)26-16-8-5-9-17-26/h4-11,14-19,29-31,37H,12-13,20-24H2,1-3H3,(H,36,41)(H,38,40)(H,39,42)/t30-,31-/m0/s1
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n/an/an/an/a 195n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink2-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159705
PNG
(CHEMBL3786864)
Show SMILES CC(=O)CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C40H50N4O6/c1-28(45)22-23-36(46)44-27-32-20-12-11-19-31(32)25-35(44)38(48)41-24-14-13-21-34(43-39(49)50-40(2,3)4)37(47)42-26-33(29-15-7-5-8-16-29)30-17-9-6-10-18-30/h5-12,15-20,33-35H,13-14,21-27H2,1-4H3,(H,41,48)(H,42,47)(H,43,49)/t34-,35-/m0/s1
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n/an/an/an/a 229n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink2-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159704
PNG
(CHEMBL3786144)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C45H52N4O6/c1-45(2,3)55-44(54)48-38(42(52)47-30-37(32-17-7-4-8-18-32)33-19-9-5-10-20-33)25-15-16-28-46-43(53)39-29-35-23-13-14-24-36(35)31-49(39)41(51)27-26-40(50)34-21-11-6-12-22-34/h4-14,17-24,37-39H,15-16,25-31H2,1-3H3,(H,46,53)(H,47,52)(H,48,54)/t38-,39-/m0/s1
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n/an/an/an/a 229n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink1-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159701
PNG
(CHEMBL3786631)
Show SMILES CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C45H52N4O6/c1-45(2,3)55-44(54)46-28-16-15-25-38(42(52)47-30-37(32-17-7-4-8-18-32)33-19-9-5-10-20-33)48-43(53)39-29-35-23-13-14-24-36(35)31-49(39)41(51)27-26-40(50)34-21-11-6-12-22-34/h4-14,17-24,37-39H,15-16,25-31H2,1-3H3,(H,46,54)(H,47,52)(H,48,53)/t38-,39+/m1/s1
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n/an/an/an/a 234n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink1-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159704
PNG
(CHEMBL3786144)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C45H52N4O6/c1-45(2,3)55-44(54)48-38(42(52)47-30-37(32-17-7-4-8-18-32)33-19-9-5-10-20-33)25-15-16-28-46-43(53)39-29-35-23-13-14-24-36(35)31-49(39)41(51)27-26-40(50)34-21-11-6-12-22-34/h4-14,17-24,37-39H,15-16,25-31H2,1-3H3,(H,46,53)(H,47,52)(H,48,54)/t38-,39-/m0/s1
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n/an/an/an/a 263n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink2-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159718
PNG
(CHEMBL3787326)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C30H36N4O2.2C2HF3O2/c31-27(17-9-10-18-32-30(36)28-19-24-15-7-8-16-25(24)20-33-28)29(35)34-21-26(22-11-3-1-4-12-22)23-13-5-2-6-14-23;2*3-2(4,5)1(6)7/h1-8,11-16,26-28,33H,9-10,17-21,31H2,(H,32,36)(H,34,35);2*(H,6,7)/t27-,28-;;/m0../s1
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n/an/an/an/a 282n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink2-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159725
PNG
(CHEMBL3787077)
Show SMILES OC(=O)C(F)(F)F.N[C@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C40H44N4O4.C2HF3O2/c41-35(39(47)43-27-34(29-14-4-1-5-15-29)30-16-6-2-7-17-30)22-12-13-25-42-40(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;3-2(4,5)1(6)7/h1-11,14-21,34-36H,12-13,22-28,41H2,(H,42,48)(H,43,47);(H,6,7)/t35-,36+;/m1./s1
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n/an/an/an/a 302n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink2-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159708
PNG
(CHEMBL3786535)
Show SMILES OC(=O)C(F)(F)F.N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C40H44N4O4.C2HF3O2/c41-35(39(47)43-27-34(29-14-4-1-5-15-29)30-16-6-2-7-17-30)22-12-13-25-42-40(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;3-2(4,5)1(6)7/h1-11,14-21,34-36H,12-13,22-28,41H2,(H,42,48)(H,43,47);(H,6,7)/t35-,36-;/m0./s1
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n/an/an/an/a 309n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink2-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159703
PNG
(CHEMBL3787404)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C35H44N4O4/c1-35(2,3)43-34(42)39-30(20-12-13-21-36-33(41)31-22-27-18-10-11-19-28(27)23-37-31)32(40)38-24-29(25-14-6-4-7-15-25)26-16-8-5-9-17-26/h4-11,14-19,29-31,37H,12-13,20-24H2,1-3H3,(H,36,41)(H,38,40)(H,39,42)/t30-,31-/m0/s1
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n/an/an/an/a 316n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink1-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159740
PNG
(CHEMBL3786522)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccc(F)cc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C45H51FN4O6/c1-45(2,3)56-44(55)49-38(42(53)48-29-37(31-14-6-4-7-15-31)32-16-8-5-9-17-32)20-12-13-27-47-43(54)39-28-34-18-10-11-19-35(34)30-50(39)41(52)26-25-40(51)33-21-23-36(46)24-22-33/h4-11,14-19,21-24,37-39H,12-13,20,25-30H2,1-3H3,(H,47,54)(H,48,53)(H,49,55)/t38-,39-/m0/s1
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n/an/an/an/a 513n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CXCR3 expressed in HEK293T cell membranes after 30 mins by [35S]GTPgammaS incorporation assay

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
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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n/an/an/an/a 631n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at CXCR3 expressed in HEK293 cells by [35S]GTPgamma binding assay

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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n/an/an/an/a 631n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at CXCR3 expressed in HEK293 cells by [35S]GTPgamma binding assay

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))		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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VU University Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at CXCR3 expressed in HEK293 cells by [35S]GTPgamma binding assay

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))		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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n/an/an/an/a 631n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CXCR3 expressed in HEK293T cell membranes after 30 mins by [35S]GTPgammaS incorporation assay

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159702
PNG
(CHEMBL3786670)
Show SMILES OC(=O)C(F)(F)F.NCCCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C40H44N4O4.C2HF3O2/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;3-2(4,5)1(6)7/h1-11,14-21,34-36H,12-13,22-28,41H2,(H,42,47)(H,43,48);(H,6,7)/t35-,36+;/m1./s1
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n/an/an/an/a 759n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink2-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
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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n/an/an/an/a 794n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at CXCR3 expressed in HEK293 cells by [35S]GTPgamma binding assay

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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n/an/an/an/a 794n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at CXCR3 expressed in HEK293 cells by [35S]GTPgamma binding assay

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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n/an/an/an/a 1.00E+3n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at CXCR3 expressed in HEK293 cells by [35S]GTPgamma binding assay

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))		BDBM50159701
PNG
(CHEMBL3786631)
Show SMILES CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C45H52N4O6/c1-45(2,3)55-44(54)46-28-16-15-25-38(42(52)47-30-37(32-17-7-4-8-18-32)33-19-9-5-10-20-33)48-43(53)39-29-35-23-13-14-24-36(35)31-49(39)41(51)27-26-40(50)34-21-11-6-12-22-34/h4-14,17-24,37-39H,15-16,25-31H2,1-3H3,(H,46,54)(H,47,52)(H,48,53)/t38-,39+/m1/s1
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n/an/an/an/a 1.07E+3n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CXCR3 expressed in HEK293T cell membranes after 30 mins by [35S]GTPgammaS incorporation assay

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159702
PNG
(CHEMBL3786670)
Show SMILES OC(=O)C(F)(F)F.NCCCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C40H44N4O4.C2HF3O2/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;3-2(4,5)1(6)7/h1-11,14-21,34-36H,12-13,22-28,41H2,(H,42,47)(H,43,48);(H,6,7)/t35-,36+;/m1./s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink1-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159702
PNG
(CHEMBL3786670)
Show SMILES OC(=O)C(F)(F)F.NCCCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C40H44N4O4.C2HF3O2/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;3-2(4,5)1(6)7/h1-11,14-21,34-36H,12-13,22-28,41H2,(H,42,47)(H,43,48);(H,6,7)/t35-,36+;/m1./s1
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n/an/an/an/a 1.15E+3n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CXCR3 expressed in HEK293T cell membranes after 30 mins by [35S]GTPgammaS incorporation assay

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159744
PNG
(CHEMBL3787121)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccc(cc1)S(C)(=O)=O)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C46H54N4O8S/c1-46(2,3)58-45(55)49-39(43(53)48-30-38(32-15-7-5-8-16-32)33-17-9-6-10-18-33)21-13-14-28-47-44(54)40-29-35-19-11-12-20-36(35)31-50(40)42(52)27-26-41(51)34-22-24-37(25-23-34)59(4,56)57/h5-12,15-20,22-25,38-40H,13-14,21,26-31H2,1-4H3,(H,47,54)(H,48,53)(H,49,55)/t39-,40-/m0/s1
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n/an/an/an/a 1.23E+3n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CXCR3 expressed in HEK293T cell membranes after 30 mins by [35S]GTPgammaS incorporation assay

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
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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n/an/an/an/a 1.26E+3n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at CXCR3 expressed in HEK293 cells by [35S]GTPgamma binding assay

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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n/an/an/an/a 1.26E+3n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at CXCR3 expressed in HEK293 cells by [35S]GTPgamma binding assay

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))		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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n/an/an/an/a 1.26E+3n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at CXCR3 expressed in HEK293 cells by [35S]GTPgamma binding assay

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))		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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n/an/an/an/a 1.28E+3n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink1-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
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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n/an/an/an/a 1.29E+3n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink1-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50159736
PNG
(CHEMBL3785515)
Show SMILES CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C45H52N4O6/c1-45(2,3)55-44(54)46-28-16-15-25-38(42(52)47-30-37(32-17-7-4-8-18-32)33-19-9-5-10-20-33)48-43(53)39-29-35-23-13-14-24-36(35)31-49(39)41(51)27-26-40(50)34-21-11-6-12-22-34/h4-14,17-24,37-39H,15-16,25-31H2,1-3H3,(H,46,54)(H,47,52)(H,48,53)/t38-,39-/m0/s1
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n/an/an/an/a 1.32E+3n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of ProLink1-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
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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n/an/an/an/a 1.58E+3n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at CXCR3 expressed in HEK293 cells by [35S]GTPgamma binding assay

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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n/an/an/an/a 1.58E+3n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at CXCR3 expressed in HEK293 cells by [35S]GTPgamma binding assay

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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n/an/an/an/a 2.00E+3n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at CXCR3 expressed in HEK293 cells by [35S]GTPgamma binding assay

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))		BDBM50159718
PNG
(CHEMBL3787326)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C30H36N4O2.2C2HF3O2/c31-27(17-9-10-18-32-30(36)28-19-24-15-7-8-16-25(24)20-33-28)29(35)34-21-26(22-11-3-1-4-12-22)23-13-5-2-6-14-23;2*3-2(4,5)1(6)7/h1-8,11-16,26-28,33H,9-10,17-21,31H2,(H,32,36)(H,34,35);2*(H,6,7)/t27-,28-;;/m0../s1
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n/an/an/an/a 2.24E+3n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CXCR3 expressed in HEK293T cell membranes after 30 mins by [35S]GTPgammaS incorporation assay

J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
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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n/an/an/an/a 5.01E+3n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at CXCR3 expressed in HEK293 cells by [35S]GTPgamma binding assay

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
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