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Compile Data Set for Download or QSAR

Found 165 hits with Last Name = 'dairaghi' and Initial = 'd'   
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-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427065
PNG
(CHEMBL2322875)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C18H19Cl2F3N4O2/c1-11-16(20)17(18(21,22)23)24-27(11)10-15(28)26-7-5-25(6-8-26)12-3-4-13(19)14(9-12)29-2/h3-4,9H,5-8,10H2,1-2H3
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n/an/a 0.800n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL5/RANTES-induced chemotaxis


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427065
PNG
(CHEMBL2322875)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C18H19Cl2F3N4O2/c1-11-16(20)17(18(21,22)23)24-27(11)10-15(28)26-7-5-25(6-8-26)12-3-4-13(19)14(9-12)29-2/h3-4,9H,5-8,10H2,1-2H3
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n/an/a 1.5n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL15/Leukotactin1-induced chemotaxis


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427070
PNG
(CHEMBL2322853)
Show SMILES COc1cc(ccc1Cl)N1CCN([C@@H](C)C1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F |r|
Show InChI InChI=1S/C19H21Cl2F3N4O2/c1-11-9-26(13-4-5-14(20)15(8-13)30-3)6-7-27(11)16(29)10-28-12(2)17(21)18(25-28)19(22,23)24/h4-5,8,11H,6-7,9-10H2,1-3H3/t11-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427065
PNG
(CHEMBL2322875)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C18H19Cl2F3N4O2/c1-11-16(20)17(18(21,22)23)24-27(11)10-15(28)26-7-5-25(6-8-26)12-3-4-13(19)14(9-12)29-2/h3-4,9H,5-8,10H2,1-2H3
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n/an/a 2.5n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL23/CKbeta8.1-induced chemotaxis


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427065
PNG
(CHEMBL2322875)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C18H19Cl2F3N4O2/c1-11-16(20)17(18(21,22)23)24-27(11)10-15(28)26-7-5-25(6-8-26)12-3-4-13(19)14(9-12)29-2/h3-4,9H,5-8,10H2,1-2H3
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n/an/a 3.90n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL3/MIP-1alpha-induced chemotaxis


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427065
PNG
(CHEMBL2322875)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C18H19Cl2F3N4O2/c1-11-16(20)17(18(21,22)23)24-27(11)10-15(28)26-7-5-25(6-8-26)12-3-4-13(19)14(9-12)29-2/h3-4,9H,5-8,10H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211148
PNG
((R)-N-(1-(4-oxo-3-(4-(prop-1-ynyl)phenyl)-3,4-dihy...)
Show SMILES CC#Cc1ccc(cc1)-n1c(nc2ccccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C34H27F3N4O2/c1-3-7-24-13-17-28(18-14-24)41-32(39-30-10-5-4-9-29(30)33(41)43)23(2)40(22-26-8-6-19-38-21-26)31(42)20-25-11-15-27(16-12-25)34(35,36)37/h4-6,8-19,21,23H,20,22H2,1-2H3/t23-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I ]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427065
PNG
(CHEMBL2322875)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C18H19Cl2F3N4O2/c1-11-16(20)17(18(21,22)23)24-27(11)10-15(28)26-7-5-25(6-8-26)12-3-4-13(19)14(9-12)29-2/h3-4,9H,5-8,10H2,1-2H3
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n/an/a 4.80n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL15/Leukotactin1-induced calcium flux by FLIPR assay


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427105
PNG
(CHEMBL2322879)
Show SMILES COc1cc(cc(F)c1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C18H18Cl2F4N4O2/c1-10-15(19)17(18(22,23)24)25-28(10)9-14(29)27-5-3-26(4-6-27)11-7-12(21)16(20)13(8-11)30-2/h7-8H,3-6,9H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427095
PNG
(CHEMBL2322858)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(F)c1C)C(F)(F)F
Show InChI InChI=1S/C18H19ClF4N4O2/c1-11-16(20)17(18(21,22)23)24-27(11)10-15(28)26-7-5-25(6-8-26)12-3-4-13(19)14(9-12)29-2/h3-4,9H,5-8,10H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211114
PNG
((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 assessed as inhibition of ITAC-induced calcium mobilization


Bioorg Med Chem Lett 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427065
PNG
(CHEMBL2322875)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C18H19Cl2F3N4O2/c1-11-16(20)17(18(21,22)23)24-27(11)10-15(28)26-7-5-25(6-8-26)12-3-4-13(19)14(9-12)29-2/h3-4,9H,5-8,10H2,1-2H3
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n/an/a 5.5n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL3/MIP-1alpha-induced calcium flux by FLIPR assay


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211130
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquin...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ccccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C33H29F3N4O4/c1-3-43-26-16-12-25(13-17-26)40-31(38-29-9-5-4-8-28(29)32(40)42)22(2)39(21-24-7-6-18-37-20-24)30(41)19-23-10-14-27(15-11-23)44-33(34,35)36/h4-18,20,22H,3,19,21H2,1-2H3/t22-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I ]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427092
PNG
(CHEMBL2322861)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(C#N)c1C)C(F)(F)F
Show InChI InChI=1S/C19H19ClF3N5O2/c1-12-14(10-24)18(19(21,22)23)25-28(12)11-17(29)27-7-5-26(6-8-27)13-3-4-15(20)16(9-13)30-2/h3-4,9H,5-8,11H2,1-2H3
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n/an/a 6n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211138
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquin...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ccccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C33H29F3N4O3/c1-3-43-27-16-14-26(15-17-27)40-31(38-29-9-5-4-8-28(29)32(40)42)22(2)39(21-24-7-6-18-37-20-24)30(41)19-23-10-12-25(13-11-23)33(34,35)36/h4-18,20,22H,3,19,21H2,1-2H3/t22-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I ]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427065
PNG
(CHEMBL2322875)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C18H19Cl2F3N4O2/c1-11-16(20)17(18(21,22)23)24-27(11)10-15(28)26-7-5-25(6-8-26)12-3-4-13(19)14(9-12)29-2/h3-4,9H,5-8,10H2,1-2H3
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ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human monocytes


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211137
PNG
((R)-N-(1-(3-(4-nitrophenyl)-4-oxo-3,4-dihydroquina...)
Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H24F3N5O4/c1-20(29-36-27-7-3-2-6-26(27)30(41)38(29)24-12-14-25(15-13-24)39(42)43)37(19-22-5-4-16-35-18-22)28(40)17-21-8-10-23(11-9-21)31(32,33)34/h2-16,18,20H,17,19H2,1H3/t20-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I ]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427093
PNG
(CHEMBL2322860)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(I)c1C)C(F)(F)F
Show InChI InChI=1S/C18H19ClF3IN4O2/c1-11-16(23)17(18(20,21)22)24-27(11)10-15(28)26-7-5-25(6-8-26)12-3-4-13(19)14(9-12)29-2/h3-4,9H,5-8,10H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211114
PNG
((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of IP10-induced CXCR3 mediated cell migration


Bioorg Med Chem Lett 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427080
PNG
(CHEMBL2322844)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(C(C)C)c(Cl)c1C
Show InChI InChI=1S/C20H26Cl2N4O2/c1-13(2)20-19(22)14(3)26(23-20)12-18(27)25-9-7-24(8-10-25)15-5-6-16(21)17(11-15)28-4/h5-6,11,13H,7-10,12H2,1-4H3
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n/an/a 8n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427094
PNG
(CHEMBL2322859)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Br)c1C)C(F)(F)F
Show InChI InChI=1S/C18H19BrClF3N4O2/c1-11-16(19)17(18(21,22)23)24-27(11)10-15(28)26-7-5-25(6-8-26)12-3-4-13(20)14(9-12)29-2/h3-4,9H,5-8,10H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211114
PNG
((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I ]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211114
PNG
((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1
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n/an/a 8.20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I] ITAC from the CXCR3 receptor


Bioorg Med Chem Lett 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211128
PNG
(2-biphenyl-4-yl-N-(2-ethoxy-ethyl)-N-{(R)-1-[3-(4-...)
Show SMILES CCOCCN([C@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1)C(=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C37H39N3O4/c1-4-34(36-38-33-15-11-10-14-32(33)37(42)40(36)30-20-22-31(23-21-30)44-6-3)39(24-25-43-5-2)35(41)26-27-16-18-29(19-17-27)28-12-8-7-9-13-28/h7-23,34H,4-6,24-26H2,1-3H3/t34-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I ]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427104
PNG
(CHEMBL2322880)
Show SMILES COc1cc(cc(Cl)c1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C18H18Cl3F3N4O2/c1-10-15(20)17(18(22,23)24)25-28(10)9-14(29)27-5-3-26(4-6-27)11-7-12(19)16(21)13(8-11)30-2/h7-8H,3-6,9H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427086
PNG
(CHEMBL2322867)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1CO)C(F)(F)F
Show InChI InChI=1S/C18H19Cl2F3N4O3/c1-30-14-8-11(2-3-12(14)19)25-4-6-26(7-5-25)15(29)9-27-13(10-28)16(20)17(24-27)18(21,22)23/h2-3,8,28H,4-7,9-10H2,1H3
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n/an/a 10n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427077
PNG
(CHEMBL2322847)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(C#N)c(Cl)c1C
Show InChI InChI=1S/C18H19Cl2N5O2/c1-12-18(20)15(10-21)22-25(12)11-17(26)24-7-5-23(6-8-24)13-3-4-14(19)16(9-13)27-2/h3-4,9H,5-8,11H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427076
PNG
(CHEMBL2321887)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)S(C)(=O)=O
Show InChI InChI=1S/C18H22Cl2N4O4S/c1-12-17(20)18(29(3,26)27)21-24(12)11-16(25)23-8-6-22(7-9-23)13-4-5-14(19)15(10-13)28-2/h4-5,10H,6-9,11H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211121
PNG
((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydroquina...)
Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(cc1)C#N
Show InChI InChI=1S/C32H24F3N5O2/c1-21(30-38-28-7-3-2-6-27(28)31(42)40(30)26-14-10-23(18-36)11-15-26)39(20-24-5-4-16-37-19-24)29(41)17-22-8-12-25(13-9-22)32(33,34)35/h2-16,19,21H,17,20H2,1H3/t21-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I ]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427069
PNG
(CHEMBL2322854)
Show SMILES COc1cc(ccc1Cl)N1CCN([C@H](CO)C1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F |r|
Show InChI InChI=1S/C19H21Cl2F3N4O3/c1-11-17(21)18(19(22,23)24)25-28(11)9-16(30)27-6-5-26(8-13(27)10-29)12-3-4-14(20)15(7-12)31-2/h3-4,7,13,29H,5-6,8-10H2,1-2H3/t13-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427108
PNG
(CHEMBL2322876)
Show SMILES CCOc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C19H21Cl2F3N4O2/c1-3-30-15-10-13(4-5-14(15)20)26-6-8-27(9-7-26)16(29)11-28-12(2)17(21)18(25-28)19(22,23)24/h4-5,10H,3,6-9,11H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211123
PNG
((R)-N-(1-(3-(4-fluorophenyl)-4-oxo-3,4-dihydroquin...)
Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C31H24F4N4O2/c1-20(29-37-27-7-3-2-6-26(27)30(41)39(29)25-14-12-24(32)13-15-25)38(19-22-5-4-16-36-18-22)28(40)17-21-8-10-23(11-9-21)31(33,34)35/h2-16,18,20H,17,19H2,1H3/t20-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I ]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427098
PNG
(CHEMBL2322886)
Show SMILES COc1cc(cc(CO)c1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C19H21Cl2F3N4O3/c1-11-16(20)18(19(22,23)24)25-28(11)9-15(30)27-5-3-26(4-6-27)13-7-12(10-29)17(21)14(8-13)31-2/h7-8,29H,3-6,9-10H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427065
PNG
(CHEMBL2322875)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C18H19Cl2F3N4O2/c1-11-16(20)17(18(21,22)23)24-27(11)10-15(28)26-7-5-25(6-8-26)12-3-4-13(19)14(9-12)29-2/h3-4,9H,5-8,10H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL15/Leukotactin1 from CCR1 in human THP1 cells


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427065
PNG
(CHEMBL2322875)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C18H19Cl2F3N4O2/c1-11-16(20)17(18(21,22)23)24-27(11)10-15(28)26-7-5-25(6-8-26)12-3-4-13(19)14(9-12)29-2/h3-4,9H,5-8,10H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL15/Leukotactin1 from CCR1 in human monocytes


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211123
PNG
((R)-N-(1-(3-(4-fluorophenyl)-4-oxo-3,4-dihydroquin...)
Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C31H24F4N4O2/c1-20(29-37-27-7-3-2-6-26(27)30(41)39(29)25-14-12-24(32)13-15-25)38(19-22-5-4-16-36-18-22)28(40)17-21-8-10-23(11-9-21)31(33,34)35/h2-16,18,20H,17,19H2,1H3/t20-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I ]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183119
PNG
(4-(((2-(trifluoromethyl)benzyl)(cyclohexylmethyl)a...)
Show SMILES FC(F)(F)c1ccccc1CN(CC1CCCCC1)Cc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C29H30F3N3S/c30-29(31,32)26-15-7-5-12-23(26)18-35(17-21-9-2-1-3-10-21)19-24-20-36-28(33-24)34-27-16-8-13-22-11-4-6-14-25(22)27/h4-8,11-16,20-21H,1-3,9-10,17-19H2,(H,33,34)
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n/an/a 14n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211143
PNG
((R)-N-(1-(3-(4-methoxyphenyl)-4-oxo-3,4-dihydroqui...)
Show SMILES COc1ccc(cc1)-n1c(nc2ccccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C32H27F3N4O3/c1-21(30-37-28-8-4-3-7-27(28)31(41)39(30)25-13-15-26(42-2)16-14-25)38(20-23-6-5-17-36-19-23)29(40)18-22-9-11-24(12-10-22)32(33,34)35/h3-17,19,21H,18,20H2,1-2H3/t21-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I ]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427103
PNG
(CHEMBL2322881)
Show SMILES COc1cc(cc(Br)c1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C18H18BrCl2F3N4O2/c1-10-15(20)17(18(22,23)24)25-28(10)9-14(29)27-5-3-26(4-6-27)11-7-12(19)16(21)13(8-11)30-2/h7-8H,3-6,9H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211114
PNG
((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ITAC-induced CXCR3 mediated cell migration


Bioorg Med Chem Lett 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427065
PNG
(CHEMBL2322875)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C18H19Cl2F3N4O2/c1-11-16(20)17(18(21,22)23)24-27(11)10-15(28)26-7-5-25(6-8-26)12-3-4-13(19)14(9-12)29-2/h3-4,9H,5-8,10H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human monocytes assessed as inhibition of CCL15/Leukotactin1-induced chemotaxis


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427097
PNG
(CHEMBL2322887)
Show SMILES COc1cc(cc(CN)c1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C19H22Cl2F3N5O2/c1-11-16(20)18(19(22,23)24)26-29(11)10-15(30)28-5-3-27(4-6-28)13-7-12(9-25)17(21)14(8-13)31-2/h7-8H,3-6,9-10,25H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427079
PNG
(CHEMBL2322845)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(C)(C)O
Show InChI InChI=1S/C20H26Cl2N4O3/c1-13-18(22)19(20(2,3)28)23-26(13)12-17(27)25-9-7-24(8-10-25)14-5-6-15(21)16(11-14)29-4/h5-6,11,28H,7-10,12H2,1-4H3
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n/an/a 16n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183091
PNG
(4-((bis(cyclohexylmethyl)amino)methyl)-N-(naphthal...)
Show SMILES C(C1CCCCC1)N(CC1CCCCC1)Cc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C28H37N3S/c1-3-10-22(11-4-1)18-31(19-23-12-5-2-6-13-23)20-25-21-32-28(29-25)30-27-17-9-15-24-14-7-8-16-26(24)27/h7-9,14-17,21-23H,1-6,10-13,18-20H2,(H,29,30)
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n/an/a 18n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427090
PNG
(CHEMBL2322863)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1cc(Cl)c(n1)C(F)(F)F
Show InChI InChI=1S/C17H17Cl2F3N4O2/c1-28-14-8-11(2-3-12(14)18)24-4-6-25(7-5-24)15(27)10-26-9-13(19)16(23-26)17(20,21)22/h2-3,8-9H,4-7,10H2,1H3
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n/an/a 18n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427096
PNG
(CHEMBL2322857)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(cc1C)C(F)(F)F
Show InChI InChI=1S/C18H20ClF3N4O2/c1-12-9-16(18(20,21)22)23-26(12)11-17(27)25-7-5-24(6-8-25)13-3-4-14(19)15(10-13)28-2/h3-4,9-10H,5-8,11H2,1-2H3
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n/an/a 19n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427078
PNG
(CHEMBL2322846)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(Br)c(Cl)c1C
Show InChI InChI=1S/C17H19BrCl2N4O2/c1-11-16(20)17(18)21-24(11)10-15(25)23-7-5-22(6-8-23)12-3-4-13(19)14(9-12)26-2/h3-4,9H,5-8,10H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211122
PNG
((R)-N-(1-(3-(4-chlorophenyl)-4-oxo-3,4-dihydroquin...)
Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H24ClF3N4O2/c1-20(29-37-27-7-3-2-6-26(27)30(41)39(29)25-14-12-24(32)13-15-25)38(19-22-5-4-16-36-18-22)28(40)17-21-8-10-23(11-9-21)31(33,34)35/h2-16,18,20H,17,19H2,1H3/t20-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I ]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427067
PNG
(CHEMBL2322856)
Show SMILES COc1cc(ccc1Cl)N1CCN(C[C@@H]1C)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F |r|
Show InChI InChI=1S/C19H21Cl2F3N4O2/c1-11-9-26(6-7-27(11)13-4-5-14(20)15(8-13)30-3)16(29)10-28-12(2)17(21)18(25-28)19(22,23)24/h4-5,8,11H,6-7,9-10H2,1-3H3/t11-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211115
PNG
((R)-N-(1-(4-oxo-3-p-tolyl-3,4-dihydroquinazolin-2-...)
Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1
Show InChI InChI=1S/C32H27F3N4O2/c1-21-9-15-26(16-10-21)39-30(37-28-8-4-3-7-27(28)31(39)41)22(2)38(20-24-6-5-17-36-19-24)29(40)18-23-11-13-25(14-12-23)32(33,34)35/h3-17,19,22H,18,20H2,1-2H3/t22-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I ]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair
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