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Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'dondi' and Initial = 'r'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320127
PNG
(CHEMBL1085565 | N-(3-(1-(2-(4-((N-benzyl-4-chlorop...)
Show SMILES CC(=O)Nc1cccc(c1)C(C)=NNC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 |w:12.13|
Show InChI InChI=1S/C31H29ClN4O4S/c1-22(27-9-6-10-29(19-27)33-23(2)37)34-35-31(38)26-13-11-25(12-14-26)21-36(20-24-7-4-3-5-8-24)41(39,40)30-17-15-28(32)16-18-30/h3-19H,20-21H2,1-2H3,(H,33,37)(H,35,38)
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211n/an/an/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Displacement of labeled ITAC from CXCR3


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320127
PNG
(CHEMBL1085565 | N-(3-(1-(2-(4-((N-benzyl-4-chlorop...)
Show SMILES CC(=O)Nc1cccc(c1)C(C)=NNC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 |w:12.13|
Show InChI InChI=1S/C31H29ClN4O4S/c1-22(27-9-6-10-29(19-27)33-23(2)37)34-35-31(38)26-13-11-25(12-14-26)21-36(20-24-7-4-3-5-8-24)41(39,40)30-17-15-28(32)16-18-30/h3-19H,20-21H2,1-2H3,(H,33,37)(H,35,38)
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348n/an/an/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Displacement of labeled IP10 from CXCR3


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320145
PNG
(4-((4-cyano-N-(pyridin-2-ylmethyl)phenylsulfonamid...)
Show SMILES O=C(NC1(CC1)c1ccccc1)c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C30H26N4O3S/c31-20-23-11-15-28(16-12-23)38(36,37)34(22-27-8-4-5-19-32-27)21-24-9-13-25(14-10-24)29(35)33-30(17-18-30)26-6-2-1-3-7-26/h1-16,19H,17-18,21-22H2,(H,33,35)
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n/an/a 13n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320144
PNG
(4-((4-chloro-N-(pyridin-2-ylmethyl)phenylsulfonami...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)C(=O)NC1(CC1)c1ccccc1)Cc1ccccn1
Show InChI InChI=1S/C29H26ClN3O3S/c30-25-13-15-27(16-14-25)37(35,36)33(21-26-8-4-5-19-31-26)20-22-9-11-23(12-10-22)28(34)32-29(17-18-29)24-6-2-1-3-7-24/h1-16,19H,17-18,20-21H2,(H,32,34)
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n/an/a 25n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320139
PNG
(4-((4-chloro-N-(pyridin-2-ylmethyl)phenylsulfonami...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)C(=O)NCc1cccc(Cl)c1)Cc1ccccn1
Show InChI InChI=1S/C27H23Cl2N3O3S/c28-23-11-13-26(14-12-23)36(34,35)32(19-25-6-1-2-15-30-25)18-20-7-9-22(10-8-20)27(33)31-17-21-4-3-5-24(29)16-21/h1-16H,17-19H2,(H,31,33)
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n/an/a 85n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320166
PNG
(4-chloro-N-(3-fluoro-4-(1H-tetrazol-5-yl)benzyl)-N...)
Show SMILES Fc1ccccc1CN(Cc1ccc(-c2nnn[nH]2)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16ClF2N5O2S/c22-16-6-8-17(9-7-16)32(30,31)29(13-15-3-1-2-4-19(15)23)12-14-5-10-18(20(24)11-14)21-25-27-28-26-21/h1-11H,12-13H2,(H,25,26,27,28)
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n/an/a 157n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320164
PNG
(CHEMBL1085508 | N-(3-fluoro-4-(1H-tetrazol-5-yl)be...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(-c2nnn[nH]2)c(F)c1)Cc1ccccn1
Show InChI InChI=1S/C21H19FN6O3S/c1-31-17-6-8-18(9-7-17)32(29,30)28(14-16-4-2-3-11-23-16)13-15-5-10-19(20(22)12-15)21-24-26-27-25-21/h2-12H,13-14H2,1H3,(H,24,25,26,27)
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n/an/a 158n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320168
PNG
(4-chloro-N-((3'-chlorobiphenyl-4-yl)methyl)-N-(pyr...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1cccc(Cl)c1)Cc1ccccn1
Show InChI InChI=1S/C25H20Cl2N2O2S/c26-22-11-13-25(14-12-22)32(30,31)29(18-24-6-1-2-15-28-24)17-19-7-9-20(10-8-19)21-4-3-5-23(27)16-21/h1-16H,17-18H2
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n/an/a 183n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320165
PNG
(4-cyano-N-(3-fluoro-4-(1H-tetrazol-5-yl)benzyl)-N-...)
Show SMILES Fc1ccccc1CN(Cc1ccc(-c2nnn[nH]2)c(F)c1)S(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C22H16F2N6O2S/c23-20-4-2-1-3-17(20)14-30(33(31,32)18-8-5-15(12-25)6-9-18)13-16-7-10-19(21(24)11-16)22-26-28-29-27-22/h1-11H,13-14H2,(H,26,27,28,29)
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n/an/a 192n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320131
PNG
(4-((N-benzyl-4-chlorophenylsulfonamido)methyl)-N-(...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1ccc(cc1)C(=O)NCc1cccs1
Show InChI InChI=1S/C26H23ClN2O3S2/c27-23-12-14-25(15-13-23)34(31,32)29(18-20-5-2-1-3-6-20)19-21-8-10-22(11-9-21)26(30)28-17-24-7-4-16-33-24/h1-16H,17-19H2,(H,28,30)
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n/an/a 192n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320138
PNG
(4-((4-chloro-N-(pyridin-2-ylmethyl)phenylsulfonami...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)C(=O)NCC1CC1)Cc1ccccn1
Show InChI InChI=1S/C24H24ClN3O3S/c25-21-10-12-23(13-11-21)32(30,31)28(17-22-3-1-2-14-26-22)16-19-6-8-20(9-7-19)24(29)27-15-18-4-5-18/h1-3,6-14,18H,4-5,15-17H2,(H,27,29)
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n/an/a 200n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320171
PNG
(4-chloro-N-(4-(3-nitrobenzyl)benzyl)-N-(pyridin-2-...)
Show SMILES [O-][N+](=O)c1cccc(Cc2ccc(CN(Cc3ccccn3)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1
Show InChI InChI=1S/C26H22ClN3O4S/c27-23-11-13-26(14-12-23)35(33,34)29(19-24-5-1-2-15-28-24)18-21-9-7-20(8-10-21)16-22-4-3-6-25(17-22)30(31)32/h1-15,17H,16,18-19H2
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n/an/a 207n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320170
PNG
(CHEMBL1086280 | N-(4-benzylbenzyl)-4-chloro-N-(pyr...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Cc2ccccc2)cc1)Cc1ccccn1
Show InChI InChI=1S/C26H23ClN2O2S/c27-24-13-15-26(16-14-24)32(30,31)29(20-25-8-4-5-17-28-25)19-23-11-9-22(10-12-23)18-21-6-2-1-3-7-21/h1-17H,18-20H2
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n/an/a 216n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320156
PNG
(CHEMBL1083913 | N-(4-(1H-tetrazol-5-yl)benzyl)-4-c...)
Show SMILES O=S(=O)(N(Cc1ccc(cc1)-c1nnn[nH]1)Cc1ccccn1)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H17N7O2S/c22-13-16-6-10-20(11-7-16)31(29,30)28(15-19-3-1-2-12-23-19)14-17-4-8-18(9-5-17)21-24-26-27-25-21/h1-12H,14-15H2,(H,24,25,26,27)
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n/an/a 233n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320167
PNG
(CHEMBL1082361 | N-(4-(1H-tetrazol-5-yl)benzyl)-4-c...)
Show SMILES Fc1ccccc1CN(Cc1ccc(cc1)-c1nnn[nH]1)S(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C22H17FN6O2S/c23-21-4-2-1-3-19(21)15-29(32(30,31)20-11-7-16(13-24)8-12-20)14-17-5-9-18(10-6-17)22-25-27-28-26-22/h1-12H,14-15H2,(H,25,26,27,28)
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n/an/a 236n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320132
PNG
(4-((N-benzyl-4-chlorophenylsulfonamido)methyl)-N-(...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1ccc(cc1)C(=O)NC1(CC1)c1ccccc1
Show InChI InChI=1S/C30H27ClN2O3S/c31-27-15-17-28(18-16-27)37(35,36)33(21-23-7-3-1-4-8-23)22-24-11-13-25(14-12-24)29(34)32-30(19-20-30)26-9-5-2-6-10-26/h1-18H,19-22H2,(H,32,34)
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n/an/a 238n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320162
PNG
(CHEMBL1083310 | N-(4-(1H-tetrazol-5-yl)benzyl)-N-(...)
Show SMILES CC(C)(C)c1nc(CCN(Cc2ccc(cc2)-c2nnn[nH]2)S(=O)(=O)c2ccc(Cl)cc2)no1
Show InChI InChI=1S/C22H24ClN7O3S/c1-22(2,3)21-24-19(27-33-21)12-13-30(34(31,32)18-10-8-17(23)9-11-18)14-15-4-6-16(7-5-15)20-25-28-29-26-20/h4-11H,12-14H2,1-3H3,(H,25,26,28,29)
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n/an/a 254n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320169
PNG
(4-chloro-N-((3'-fluorobiphenyl-4-yl)methyl)-N-(pyr...)
Show SMILES Fc1cccc(c1)-c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H20ClFN2O2S/c26-22-11-13-25(14-12-22)32(30,31)29(18-24-6-1-2-15-28-24)17-19-7-9-20(10-8-19)21-4-3-5-23(27)16-21/h1-16H,17-18H2
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n/an/a 339n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320135
PNG
(CHEMBL1085258 | N-benzyl-4-((N-benzyl-4-methoxyphe...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1ccc(cc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C29H28N2O4S/c1-35-27-16-18-28(19-17-27)36(33,34)31(21-24-10-6-3-7-11-24)22-25-12-14-26(15-13-25)29(32)30-20-23-8-4-2-5-9-23/h2-19H,20-22H2,1H3,(H,30,32)
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n/an/a 347n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320141
PNG
(4-((4-cyano-N-(pyridin-2-ylmethyl)phenylsulfonamid...)
Show SMILES O=C(NCC1CC1)c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C25H24N4O3S/c26-15-19-8-12-24(13-9-19)33(31,32)29(18-23-3-1-2-14-27-23)17-21-6-10-22(11-7-21)25(30)28-16-20-4-5-20/h1-3,6-14,20H,4-5,16-18H2,(H,28,30)
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n/an/a 360n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320163
PNG
(4-chloro-N-(3-fluoro-4-(1H-tetrazol-5-yl)benzyl)-N...)
Show SMILES Fc1cc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)ccc1-c1nnn[nH]1
Show InChI InChI=1S/C20H16ClFN6O2S/c21-15-5-7-17(8-6-15)31(29,30)28(13-16-3-1-2-10-23-16)12-14-4-9-18(19(22)11-14)20-24-26-27-25-20/h1-11H,12-13H2,(H,24,25,26,27)
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n/an/a 440n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320153
PNG
(CHEMBL1082648 | N-(4-(1H-tetrazol-5-yl)benzyl)-4-c...)
Show SMILES Fc1ccccc1CN(Cc1ccc(cc1)-c1nnn[nH]1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClFN5O2S/c22-18-9-11-19(12-10-18)31(29,30)28(14-17-3-1-2-4-20(17)23)13-15-5-7-16(8-6-15)21-24-26-27-25-21/h1-12H,13-14H2,(H,24,25,26,27)
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n/an/a 470n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320152
PNG
(CHEMBL1082641 | N-(4-(1H-tetrazol-5-yl)benzyl)-4-c...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1nnn[nH]1)Cc1ccccn1
Show InChI InChI=1S/C20H17ClN6O2S/c21-17-8-10-19(11-9-17)30(28,29)27(14-18-3-1-2-12-22-18)13-15-4-6-16(7-5-15)20-23-25-26-24-20/h1-12H,13-14H2,(H,23,24,25,26)
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n/an/a 496n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320142
PNG
(4-((4-chloro-N-(2-fluorobenzyl)phenylsulfonamido)m...)
Show SMILES Fc1ccccc1CN(Cc1ccc(cc1)C(=O)NCC1CC1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClFN2O3S/c26-22-11-13-23(14-12-22)33(31,32)29(17-21-3-1-2-4-24(21)27)16-19-7-9-20(10-8-19)25(30)28-15-18-5-6-18/h1-4,7-14,18H,5-6,15-17H2,(H,28,30)
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n/an/a 510n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320149
PNG
(4-((4-chloro-N-(2-fluorobenzyl)phenylsulfonamido)m...)
Show SMILES OC(=O)c1ccc(CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C21H16ClF2NO4S/c22-16-6-8-17(9-7-16)30(28,29)25(13-15-3-1-2-4-19(15)23)12-14-5-10-18(21(26)27)20(24)11-14/h1-11H,12-13H2,(H,26,27)
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n/an/a 513n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320127
PNG
(CHEMBL1085565 | N-(3-(1-(2-(4-((N-benzyl-4-chlorop...)
Show SMILES CC(=O)Nc1cccc(c1)C(C)=NNC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 |w:12.13|
Show InChI InChI=1S/C31H29ClN4O4S/c1-22(27-9-6-10-29(19-27)33-23(2)37)34-35-31(38)26-13-11-25(12-14-26)21-36(20-24-7-4-3-5-8-24)41(39,40)30-17-15-28(32)16-18-30/h3-19H,20-21H2,1-2H3,(H,33,37)(H,35,38)
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n/an/a 538n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320157
PNG
(CHEMBL1084198 | N-(4-(1H-tetrazol-5-yl)benzyl)-4-e...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1nnn[nH]1)Cc1ccccn1
Show InChI InChI=1S/C22H22N6O3S/c1-2-31-20-10-12-21(13-11-20)32(29,30)28(16-19-5-3-4-14-23-19)15-17-6-8-18(9-7-17)22-24-26-27-25-22/h3-14H,2,15-16H2,1H3,(H,24,25,26,27)
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n/an/a 540n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320136
PNG
(4-((N-benzyl-4-ethoxyphenylsulfonamido)methyl)-N-(...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C27H30N2O4S/c1-2-33-25-14-16-26(17-15-25)34(31,32)29(19-22-6-4-3-5-7-22)20-23-10-12-24(13-11-23)27(30)28-18-21-8-9-21/h3-7,10-17,21H,2,8-9,18-20H2,1H3,(H,28,30)
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n/an/a 673n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320151
PNG
(4-chloro-N-(4-(5-hydroxy-1,3,4-oxadiazol-2-yl)benz...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1n[nH]c(=O)o1)Cc1ccccn1
Show InChI InChI=1S/C21H17ClN4O4S/c22-17-8-10-19(11-9-17)31(28,29)26(14-18-3-1-2-12-23-18)13-15-4-6-16(7-5-15)20-24-25-21(27)30-20/h1-12H,13-14H2,(H,25,27)
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n/an/a 695n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320134
PNG
(4-((N-benzyl-4-methoxyphenylsulfonamido)methyl)-N-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C26H28N2O4S/c1-32-24-13-15-25(16-14-24)33(30,31)28(18-21-5-3-2-4-6-21)19-22-9-11-23(12-10-22)26(29)27-17-20-7-8-20/h2-6,9-16,20H,7-8,17-19H2,1H3,(H,27,29)
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n/an/a 697n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320155
PNG
(CHEMBL1086590 | N-(4-(1H-tetrazol-5-yl)benzyl)-4-c...)
Show SMILES Clc1ccc(CN(Cc2ccc(cc2)-c2nnn[nH]2)S(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H17Cl2N5O2S/c22-18-7-3-16(4-8-18)14-28(31(29,30)20-11-9-19(23)10-12-20)13-15-1-5-17(6-2-15)21-24-26-27-25-21/h1-12H,13-14H2,(H,24,25,26,27)
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n/an/a 882n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320158
PNG
(CHEMBL1084199 | N-(4-(1H-tetrazol-5-yl)benzyl)-4-c...)
Show SMILES COc1ccc(CN(Cc2ccc(cc2)-c2nnn[nH]2)S(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H20ClN5O3S/c1-31-20-10-4-17(5-11-20)15-28(32(29,30)21-12-8-19(23)9-13-21)14-16-2-6-18(7-3-16)22-24-26-27-25-22/h2-13H,14-15H2,1H3,(H,24,25,26,27)
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n/an/a 885n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320161
PNG
(CHEMBL1083309 | N-(4-(1H-tetrazol-5-yl)benzyl)-4-c...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(CCc1cc2ccccc2cn1)Cc1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C25H21ClN6O2S/c26-22-9-11-24(12-10-22)35(33,34)32(14-13-23-15-20-3-1-2-4-21(20)16-27-23)17-18-5-7-19(8-6-18)25-28-30-31-29-25/h1-12,15-16H,13-14,17H2,(H,28,29,30,31)
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n/an/a 911n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320143
PNG
(4-((4-chloro-N-(3-chlorobenzyl)phenylsulfonamido)m...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)C(=O)NCC1CC1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C25H24Cl2N2O3S/c26-22-10-12-24(13-11-22)33(31,32)29(17-20-2-1-3-23(27)14-20)16-19-6-8-21(9-7-19)25(30)28-15-18-4-5-18/h1-3,6-14,18H,4-5,15-17H2,(H,28,30)
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n/an/a 940n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320150
PNG
(4-((4-cyano-N-(pyridin-2-ylmethyl)phenylsulfonamid...)
Show SMILES OC(=O)c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(cc2)C#N)cc1F
Show InChI InChI=1S/C21H16FN3O4S/c22-20-11-16(6-9-19(20)21(26)27)13-25(14-17-3-1-2-10-24-17)30(28,29)18-7-4-15(12-23)5-8-18/h1-11H,13-14H2,(H,26,27)
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n/an/a 1.08E+3n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320148
PNG
(4-((4-chloro-N-(pyridin-2-ylmethyl)phenylsulfonami...)
Show SMILES OC(=O)c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C20H16ClFN2O4S/c21-15-5-7-17(8-6-15)29(27,28)24(13-16-3-1-2-10-23-16)12-14-4-9-18(20(25)26)19(22)11-14/h1-11H,12-13H2,(H,25,26)
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n/an/a 1.13E+3n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320140
PNG
(CHEMBL1085998 | N-(cyclopropylmethyl)-4-((4-methox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)C(=O)NCC1CC1)Cc1cccnc1
Show InChI InChI=1S/C25H27N3O4S/c1-32-23-10-12-24(13-11-23)33(30,31)28(18-21-3-2-14-26-15-21)17-20-6-8-22(9-7-20)25(29)27-16-19-4-5-19/h2-3,6-15,19H,4-5,16-18H2,1H3,(H,27,29)
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n/an/a 1.15E+3n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320154
PNG
(CHEMBL1082649 | N-(4-(1H-tetrazol-5-yl)benzyl)-4-c...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1nnn[nH]1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C21H17Cl2N5O2S/c22-18-8-10-20(11-9-18)31(29,30)28(14-16-2-1-3-19(23)12-16)13-15-4-6-17(7-5-15)21-24-26-27-25-21/h1-12H,13-14H2,(H,24,25,26,27)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320130
PNG
(4-((N-benzyl-4-chlorophenylsulfonamido)methyl)-N-(...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1ccc(cc1)C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C28H24Cl2N2O3S/c29-25-13-15-27(16-14-25)36(34,35)32(19-21-5-2-1-3-6-21)20-22-9-11-24(12-10-22)28(33)31-18-23-7-4-8-26(30)17-23/h1-17H,18-20H2,(H,31,33)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320159
PNG
(CHEMBL1082660 | N-(4-(1H-tetrazol-5-yl)benzyl)-4-c...)
Show SMILES COc1cccc(CN(Cc2ccc(cc2)-c2nnn[nH]2)S(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H20ClN5O3S/c1-31-20-4-2-3-17(13-20)15-28(32(29,30)21-11-9-19(23)10-12-21)14-16-5-7-18(8-6-16)22-24-26-27-25-22/h2-13H,14-15H2,1H3,(H,24,25,26,27)
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n/an/a 1.46E+3n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320129
PNG
(4-((N-benzyl-4-chlorophenylsulfonamido)methyl)-N-(...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C25H25ClN2O3S/c26-23-12-14-24(15-13-23)32(30,31)28(17-20-4-2-1-3-5-20)18-21-8-10-22(11-9-21)25(29)27-16-19-6-7-19/h1-5,8-15,19H,6-7,16-18H2,(H,27,29)
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n/an/a 1.99E+3n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320128
PNG
((S)-4-((N-benzyl-4-chlorophenylsulfonamido)methyl)...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1ccc(cc1)C(=O)NC[C@@H]1CCCO1 |r|
Show InChI InChI=1S/C26H27ClN2O4S/c27-23-12-14-25(15-13-23)34(31,32)29(18-20-5-2-1-3-6-20)19-21-8-10-22(11-9-21)26(30)28-17-24-7-4-16-33-24/h1-3,5-6,8-15,24H,4,7,16-19H2,(H,28,30)/t24-/m0/s1
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n/an/a 2.28E+3n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320133
PNG
(4-((N-benzyl-4-chlorophenylsulfonamido)methyl)-N-(...)
Show SMILES [O-][N+](=O)c1cccc(CCNC(=O)c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1
Show InChI InChI=1S/C29H26ClN3O5S/c30-26-13-15-28(16-14-26)39(37,38)32(20-23-5-2-1-3-6-23)21-24-9-11-25(12-10-24)29(34)31-18-17-22-7-4-8-27(19-22)33(35)36/h1-16,19H,17-18,20-21H2,(H,31,34)
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n/an/a 2.45E+3n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320160
PNG
(CHEMBL1082995 | N-(4-(1H-tetrazol-5-yl)benzyl)-4-c...)
Show SMILES Fc1ccc(CN(Cc2ccc(cc2)-c2nnn[nH]2)S(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H17ClFN5O2S/c22-18-7-11-20(12-8-18)31(29,30)28(14-16-3-9-19(23)10-4-16)13-15-1-5-17(6-2-15)21-24-26-27-25-21/h1-12H,13-14H2,(H,24,25,26,27)
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n/an/a 2.56E+3n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320146
PNG
(4-((N-benzyl-4-chlorophenylsulfonamido)methyl)benz...)
Show SMILES OC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H18ClNO4S/c22-19-10-12-20(13-11-19)28(26,27)23(14-16-4-2-1-3-5-16)15-17-6-8-18(9-7-17)21(24)25/h1-13H,14-15H2,(H,24,25)
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n/an/a 2.94E+3n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320137
PNG
(4-((N-benzyl-4-(trifluoromethoxy)phenylsulfonamido...)
Show SMILES FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C26H25F3N2O4S/c27-26(28,29)35-23-12-14-24(15-13-23)36(33,34)31(17-20-4-2-1-3-5-20)18-21-8-10-22(11-9-21)25(32)30-16-19-6-7-19/h1-5,8-15,19H,6-7,16-18H2,(H,30,32)
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n/an/a 5.58E+3n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320147
PNG
(4-((N-benzyl-4-methoxyphenylsulfonamido)methyl)ben...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H21NO5S/c1-28-20-11-13-21(14-12-20)29(26,27)23(15-17-5-3-2-4-6-17)16-18-7-9-19(10-8-18)22(24)25/h2-14H,15-16H2,1H3,(H,24,25)
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n/an/a 6.44E+3n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair