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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50016912   
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))
BDBM50175173
PNG
(4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-chlor...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H32Cl3N5O3/c1-2-34-30(41)38-14-4-13-37(15-16-38)27-10-8-22(18-26(27)36-29(40)21-5-3-6-23(31)17-21)28(39)35-12-11-20-7-9-24(32)19-25(20)33/h3,5-10,17-19H,2,4,11-16H2,1H3,(H,34,41)(H,35,39)(H,36,40)
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n/an/a 20n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL10(IP-10)-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175193
PNG
(4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-chlor...)
Show SMILES CCCCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C32H36Cl3N5O3/c1-2-3-13-37-32(43)40-16-5-15-39(17-18-40)29-11-9-24(20-28(29)38-31(42)23-6-4-7-25(33)19-23)30(41)36-14-12-22-8-10-26(34)21-27(22)35/h4,6-11,19-21H,2-3,5,12-18H2,1H3,(H,36,41)(H,37,43)(H,38,42)
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n/an/a 50n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175168
PNG
(4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-chlor...)
Show SMILES CC(C)NC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C31H34Cl3N5O3/c1-20(2)36-31(42)39-14-4-13-38(15-16-39)28-10-8-23(18-27(28)37-30(41)22-5-3-6-24(32)17-22)29(40)35-12-11-21-7-9-25(33)19-26(21)34/h3,5-10,17-20H,4,11-16H2,1-2H3,(H,35,40)(H,36,42)(H,37,41)
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n/an/a 60n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175173
PNG
(4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-chlor...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H32Cl3N5O3/c1-2-34-30(41)38-14-4-13-37(15-16-38)27-10-8-22(18-26(27)36-29(40)21-5-3-6-23(31)17-21)28(39)35-12-11-20-7-9-24(32)19-25(20)33/h3,5-10,17-19H,2,4,11-16H2,1H3,(H,34,41)(H,35,39)(H,36,40)
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n/an/a 60n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175176
PNG
(4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-fluor...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(F)c1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H32Cl2FN5O3/c1-2-34-30(41)38-14-4-13-37(15-16-38)27-10-8-22(18-26(27)36-29(40)21-5-3-6-24(33)17-21)28(39)35-12-11-20-7-9-23(31)19-25(20)32/h3,5-10,17-19H,2,4,11-16H2,1H3,(H,34,41)(H,35,39)(H,36,40)
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n/an/a 60n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175183
PNG
(4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-chlor...)
Show SMILES CCCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C31H34Cl3N5O3/c1-2-12-36-31(42)39-15-4-14-38(16-17-39)28-10-8-23(19-27(28)37-30(41)22-5-3-6-24(32)18-22)29(40)35-13-11-21-7-9-25(33)20-26(21)34/h3,5-10,18-20H,2,4,11-17H2,1H3,(H,35,40)(H,36,42)(H,37,41)
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n/an/a 60n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175187
PNG
(4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-benzamid...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1ccccc1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H33Cl2N5O3/c1-2-33-30(40)37-16-6-15-36(17-18-37)27-12-10-23(19-26(27)35-29(39)22-7-4-3-5-8-22)28(38)34-14-13-21-9-11-24(31)20-25(21)32/h3-5,7-12,19-20H,2,6,13-18H2,1H3,(H,33,40)(H,34,38)(H,35,39)
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n/an/a 70n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175170
PNG
(4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-cyano...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(c1)C#N)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C31H32Cl2N6O3/c1-2-35-31(42)39-14-4-13-38(15-16-39)28-10-8-24(29(40)36-12-11-22-7-9-25(32)19-26(22)33)18-27(28)37-30(41)23-6-3-5-21(17-23)20-34/h3,5-10,17-19H,2,4,11-16H2,1H3,(H,35,42)(H,36,40)(H,37,41)
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n/an/a 80n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175173
PNG
(4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-chlor...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H32Cl3N5O3/c1-2-34-30(41)38-14-4-13-37(15-16-38)27-10-8-22(18-26(27)36-29(40)21-5-3-6-23(31)17-21)28(39)35-12-11-20-7-9-24(32)19-25(20)33/h3,5-10,17-19H,2,4,11-16H2,1H3,(H,34,41)(H,35,39)(H,36,40)
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n/an/a 100n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-induced CXCR3 mediated T-cell migration


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175178
PNG
(4-(4-((4-chlorophenethyl)carbamoyl)-2-(3-chloroben...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C30H33Cl2N5O3/c1-2-33-30(40)37-16-4-15-36(17-18-37)27-12-9-23(28(38)34-14-13-21-7-10-24(31)11-8-21)20-26(27)35-29(39)22-5-3-6-25(32)19-22/h3,5-12,19-20H,2,4,13-18H2,1H3,(H,33,40)(H,34,38)(H,35,39)
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n/an/a 120n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175169
PNG
(4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(thiophe...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccs1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H31Cl2N5O3S/c1-2-31-28(38)35-13-4-12-34(14-15-35)24-9-7-20(17-23(24)33-27(37)25-5-3-16-39-25)26(36)32-11-10-19-6-8-21(29)18-22(19)30/h3,5-9,16-18H,2,4,10-15H2,1H3,(H,31,38)(H,32,36)(H,33,37)
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n/an/a 130n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175185
PNG
(4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-metho...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(OC)c1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C31H35Cl2N5O4/c1-3-34-31(41)38-15-5-14-37(16-17-38)28-11-9-23(29(39)35-13-12-21-8-10-24(32)20-26(21)33)19-27(28)36-30(40)22-6-4-7-25(18-22)42-2/h4,6-11,18-20H,3,5,12-17H2,1-2H3,(H,34,41)(H,35,39)(H,36,40)
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n/an/a 170n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175164
PNG
(4-(4-((2-chlorophenethyl)carbamoyl)-2-(3-chloroben...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccccc1Cl
Show InChI InChI=1S/C30H33Cl2N5O3/c1-2-33-30(40)37-16-6-15-36(17-18-37)27-12-11-23(28(38)34-14-13-21-7-3-4-10-25(21)32)20-26(27)35-29(39)22-8-5-9-24(31)19-22/h3-5,7-12,19-20H,2,6,13-18H2,1H3,(H,33,40)(H,34,38)(H,35,39)
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n/an/a 190n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175161
PNG
(4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(4-fluor...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)cc1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H32Cl2FN5O3/c1-2-34-30(41)38-15-3-14-37(16-17-38)27-11-7-22(18-26(27)36-29(40)21-5-9-24(33)10-6-21)28(39)35-13-12-20-4-8-23(31)19-25(20)32/h4-11,18-19H,2-3,12-17H2,1H3,(H,34,41)(H,35,39)(H,36,40)
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Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175190
PNG
(4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3,5-dif...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cc(F)cc(F)c1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H31Cl2F2N5O3/c1-2-35-30(42)39-11-3-10-38(12-13-39)27-7-5-20(28(40)36-9-8-19-4-6-22(31)17-25(19)32)16-26(27)37-29(41)21-14-23(33)18-24(34)15-21/h4-7,14-18H,2-3,8-13H2,1H3,(H,35,42)(H,36,40)(H,37,41)
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n/an/a 240n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175177
PNG
(4-(4-((4-chlorobenzyl)carbamoyl)-2-(3-chlorobenzam...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C29H31Cl2N5O3/c1-2-32-29(39)36-14-4-13-35(15-16-36)26-12-9-22(27(37)33-19-20-7-10-23(30)11-8-20)18-25(26)34-28(38)21-5-3-6-24(31)17-21/h3,5-12,17-18H,2,4,13-16,19H2,1H3,(H,32,39)(H,33,37)(H,34,38)
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n/an/a 250n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175165
PNG
(4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(isonico...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1ccncc1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C29H32Cl2N6O3/c1-2-33-29(40)37-15-3-14-36(16-17-37)26-7-5-22(18-25(26)35-28(39)21-8-11-32-12-9-21)27(38)34-13-10-20-4-6-23(30)19-24(20)31/h4-9,11-12,18-19H,2-3,10,13-17H2,1H3,(H,33,40)(H,34,38)(H,35,39)
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n/an/a 250n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175182
PNG
(4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3,4-dif...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)c(F)c1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H31Cl2F2N5O3/c1-2-35-30(42)39-13-3-12-38(14-15-39)27-9-6-21(28(40)36-11-10-19-4-7-22(31)18-23(19)32)17-26(27)37-29(41)20-5-8-24(33)25(34)16-20/h4-9,16-18H,2-3,10-15H2,1H3,(H,35,42)(H,36,40)(H,37,41)
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n/an/a 290n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175192
PNG
(4-(4-((3-chlorophenethyl)carbamoyl)-2-(3-chloroben...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1cccc(Cl)c1
Show InChI InChI=1S/C30H33Cl2N5O3/c1-2-33-30(40)37-15-5-14-36(16-17-37)27-11-10-23(28(38)34-13-12-21-6-3-8-24(31)18-21)20-26(27)35-29(39)22-7-4-9-25(32)19-22/h3-4,6-11,18-20H,2,5,12-17H2,1H3,(H,33,40)(H,34,38)(H,35,39)
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n/an/a 300n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175166
PNG
(4-(4-((4-fluorophenethyl)carbamoyl)-2-(3-chloroben...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(F)cc1
Show InChI InChI=1S/C30H33ClFN5O3/c1-2-33-30(40)37-16-4-15-36(17-18-37)27-12-9-23(28(38)34-14-13-21-7-10-25(32)11-8-21)20-26(27)35-29(39)22-5-3-6-24(31)19-22/h3,5-12,19-20H,2,4,13-18H2,1H3,(H,33,40)(H,34,38)(H,35,39)
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n/an/a 320n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175188
PNG
(4-(4-((3-fluorophenethyl)carbamoyl)-2-(3-chloroben...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1cccc(F)c1
Show InChI InChI=1S/C30H33ClFN5O3/c1-2-33-30(40)37-15-5-14-36(16-17-37)27-11-10-23(28(38)34-13-12-21-6-3-9-25(32)18-21)20-26(27)35-29(39)22-7-4-8-24(31)19-22/h3-4,6-11,18-20H,2,5,12-17H2,1H3,(H,33,40)(H,34,38)(H,35,39)
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n/an/a 340n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175191
PNG
(4-(4-((2-fluorophenethyl)carbamoyl)-2-(3-chloroben...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccccc1F
Show InChI InChI=1S/C30H33ClFN5O3/c1-2-33-30(40)37-16-6-15-36(17-18-37)27-12-11-23(28(38)34-14-13-21-7-3-4-10-25(21)32)20-26(27)35-29(39)22-8-5-9-24(31)19-22/h3-5,7-12,19-20H,2,6,13-18H2,1H3,(H,33,40)(H,34,38)(H,35,39)
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n/an/a 340n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175163
PNG
(4-(4-((3,4-dimethoxyphenethyl)carbamoyl)-2-(3-chlo...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(OC)c(OC)c1
Show InChI InChI=1S/C32H38ClN5O5/c1-4-34-32(41)38-16-6-15-37(17-18-38)27-11-10-24(21-26(27)36-31(40)23-7-5-8-25(33)20-23)30(39)35-14-13-22-9-12-28(42-2)29(19-22)43-3/h5,7-12,19-21H,4,6,13-18H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)
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n/an/a 420n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175174
PNG
(4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(thiophe...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1ccsc1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H31Cl2N5O3S/c1-2-31-28(38)35-12-3-11-34(13-14-35)25-7-5-20(16-24(25)33-27(37)21-9-15-39-18-21)26(36)32-10-8-19-4-6-22(29)17-23(19)30/h4-7,9,15-18H,2-3,8,10-14H2,1H3,(H,31,38)(H,32,36)(H,33,37)
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n/an/a 490n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175171
PNG
(4-(2-(3-chlorobenzamido)-4-(phenethylcarbamoyl)phe...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C30H34ClN5O3/c1-2-32-30(39)36-17-7-16-35(18-19-36)27-13-12-24(28(37)33-15-14-22-8-4-3-5-9-22)21-26(27)34-29(38)23-10-6-11-25(31)20-23/h3-6,8-13,20-21H,2,7,14-19H2,1H3,(H,32,39)(H,33,37)(H,34,38)
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n/an/a 510n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175175
PNG
(4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(2-fluor...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1ccccc1F)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H32Cl2FN5O3/c1-2-34-30(41)38-15-5-14-37(16-17-38)27-11-9-21(18-26(27)36-29(40)23-6-3-4-7-25(23)33)28(39)35-13-12-20-8-10-22(31)19-24(20)32/h3-4,6-11,18-19H,2,5,12-17H2,1H3,(H,34,41)(H,35,39)(H,36,40)
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n/an/a 590n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175172
PNG
(4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(furan-2...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1ccco1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H31Cl2N5O4/c1-2-31-28(38)35-13-4-12-34(14-15-35)24-9-7-20(17-23(24)33-27(37)25-5-3-16-39-25)26(36)32-11-10-19-6-8-21(29)18-22(19)30/h3,5-9,16-18H,2,4,10-15H2,1H3,(H,31,38)(H,32,36)(H,33,37)
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n/an/a 640n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175184
PNG
(4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(2-chlor...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1ccccc1Cl)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H32Cl3N5O3/c1-2-34-30(41)38-15-5-14-37(16-17-38)27-11-9-21(18-26(27)36-29(40)23-6-3-4-7-24(23)32)28(39)35-13-12-20-8-10-22(31)19-25(20)33/h3-4,6-11,18-19H,2,5,12-17H2,1H3,(H,34,41)(H,35,39)(H,36,40)
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n/an/a 700n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175181
PNG
(4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-chlor...)
Show SMILES CNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C29H30Cl3N5O3/c1-33-29(40)37-13-3-12-36(14-15-37)26-9-7-21(17-25(26)35-28(39)20-4-2-5-22(30)16-20)27(38)34-11-10-19-6-8-23(31)18-24(19)32/h2,4-9,16-18H,3,10-15H2,1H3,(H,33,40)(H,34,38)(H,35,39)
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n/an/a 800n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175179
PNG
(4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-chlor...)
Show SMILES CN(C)C(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H32Cl3N5O3/c1-36(2)30(41)38-14-4-13-37(15-16-38)27-10-8-22(18-26(27)35-29(40)21-5-3-6-23(31)17-21)28(39)34-12-11-20-7-9-24(32)19-25(20)33/h3,5-10,17-19H,4,11-16H2,1-2H3,(H,34,39)(H,35,40)
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n/an/a 890n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175189
PNG
(4-(4-(benzylcarbamoyl)-2-(3-chlorobenzamido)phenyl...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C29H32ClN5O3/c1-2-31-29(38)35-15-7-14-34(16-17-35)26-13-12-23(27(36)32-20-21-8-4-3-5-9-21)19-25(26)33-28(37)22-10-6-11-24(30)18-22/h3-6,8-13,18-19H,2,7,14-17,20H2,1H3,(H,31,38)(H,32,36)(H,33,37)
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n/an/a 1.25E+3n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175162
PNG
(4-(2-(3-chlorobenzamido)-4-((cyclopropylmethyl)car...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCC1CC1
Show InChI InChI=1S/C26H32ClN5O3/c1-2-28-26(35)32-12-4-11-31(13-14-32)23-10-9-20(24(33)29-17-18-7-8-18)16-22(23)30-25(34)19-5-3-6-21(27)15-19/h3,5-6,9-10,15-16,18H,2,4,7-8,11-14,17H2,1H3,(H,28,35)(H,29,33)(H,30,34)
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n/an/a 2.15E+3n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175160
PNG
(4-(2-(3-chlorobenzamido)-4-(isopropylcarbamoyl)phe...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NC(C)C
Show InChI InChI=1S/C25H32ClN5O3/c1-4-27-25(34)31-12-6-11-30(13-14-31)22-10-9-19(23(32)28-17(2)3)16-21(22)29-24(33)18-7-5-8-20(26)15-18/h5,7-10,15-17H,4,6,11-14H2,1-3H3,(H,27,34)(H,28,32)(H,29,33)
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n/an/a 2.16E+3n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175180
PNG
(4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(nicotin...)
Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccnc1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C29H32Cl2N6O3/c1-2-33-29(40)37-14-4-13-36(15-16-37)26-9-7-21(17-25(26)35-28(39)22-5-3-11-32-19-22)27(38)34-12-10-20-6-8-23(30)18-24(20)31/h3,5-9,11,17-19H,2,4,10,12-16H2,1H3,(H,33,40)(H,34,38)(H,35,39)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175167
PNG
(CHEMBL200891 | methyl 4-(4-((2,4-dichlorophenethyl...)
Show SMILES COC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C29H29Cl3N4O4/c1-40-29(39)36-13-3-12-35(14-15-36)26-9-7-21(17-25(26)34-28(38)20-4-2-5-22(30)16-20)27(37)33-11-10-19-6-8-23(31)18-24(19)32/h2,4-9,16-18H,3,10-15H2,1H3,(H,33,37)(H,34,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.80E+3n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50175186
PNG
(CHEMBL370167 | ethyl 4-(4-((2,4-dichlorophenethyl)...)
Show SMILES CCOC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H31Cl3N4O4/c1-2-41-30(40)37-14-4-13-36(15-16-37)27-10-8-22(18-26(27)35-29(39)21-5-3-6-23(31)17-21)28(38)34-12-11-20-7-9-24(32)19-25(20)33/h3,5-10,17-19H,2,4,11-16H2,1H3,(H,34,38)(H,35,39)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5


Bioorg Med Chem Lett 16: 200-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.020
BindingDB Entry DOI: 10.7270/Q29Z94GD
More data for this
Ligand-Target Pair