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Compile Data Set for Download or QSAR

Found 109 hits Enz. Inhib. hit(s) with all data for entry = 50039871   
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 2


(Homo sapiens (Human))
BDBM50385474
PNG
(CHEMBL2036748)
Show SMILES CN1CCCC(CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C18H26Cl2N4O/c1-22-6-2-3-14(12-22)13-23-7-9-24(10-8-23)18(25)21-15-4-5-16(19)17(20)11-15/h4-5,11,14H,2-3,6-10,12-13H2,1H3,(H,21,25)
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400n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human HEK cell membrane


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385450
PNG
(CHEMBL2036782)
Show SMILES CC(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H27Cl2N5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385479
PNG
(CHEMBL2036755)
Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(CCc4ccccc4)C3)CC2)cc1Cl |r|
Show InChI InChI=1S/C25H32Cl2N4O/c26-23-9-8-22(17-24(23)27)28-25(32)31-15-13-30(14-16-31)19-21-7-4-11-29(18-21)12-10-20-5-2-1-3-6-20/h1-3,5-6,8-9,17,21H,4,7,10-16,18-19H2,(H,28,32)/t21-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385450
PNG
(CHEMBL2036782)
Show SMILES CC(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H27Cl2N5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1
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n/an/a 5.10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of MCP1-induced CCR2-mediated chemotaxis in human THP-1 cells


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385450
PNG
(CHEMBL2036782)
Show SMILES CC(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H27Cl2N5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1
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n/an/a 5.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385469
PNG
(CHEMBL2036757)
Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r|
Show InChI InChI=1S/C20H28Cl2N4O/c21-18-6-3-16(12-19(18)22)23-20(27)25-10-8-24(9-11-25)13-15-2-1-7-26(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,23,27)/t15-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385468
PNG
(CHEMBL2036758)
Show SMILES CC(C)N1CCC[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r|
Show InChI InChI=1S/C20H30Cl2N4O/c1-15(2)26-7-3-4-16(14-26)13-24-8-10-25(11-9-24)20(27)23-17-5-6-18(21)19(22)12-17/h5-6,12,15-16H,3-4,7-11,13-14H2,1-2H3,(H,23,27)/t16-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385466
PNG
(CHEMBL2036760)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r|
Show InChI InChI=1S/C21H28ClF3N4O/c22-19-12-16(3-6-18(19)21(23,24)25)26-20(30)28-10-8-27(9-11-28)13-15-2-1-7-29(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,26,30)/t15-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385456
PNG
(CHEMBL2036775)
Show SMILES CC(C)N1CCO[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r|
Show InChI InChI=1S/C19H28Cl2N4O2/c1-14(2)25-9-10-27-16(13-25)12-23-5-7-24(8-6-23)19(26)22-15-3-4-17(20)18(21)11-15/h3-4,11,14,16H,5-10,12-13H2,1-2H3,(H,22,26)/t16-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385452
PNG
(CHEMBL2036780)
Show SMILES CCN1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C18H25Cl2N5O2/c1-2-23-6-5-21-16(12-23)17(26)24-7-9-25(10-8-24)18(27)22-13-3-4-14(19)15(20)11-13/h3-4,11,16,21H,2,5-10,12H2,1H3,(H,22,27)/t16-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50385450
PNG
(CHEMBL2036782)
Show SMILES CC(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H27Cl2N5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human CCR5 by FLIPR analysis


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385475
PNG
(CHEMBL2036777)
Show SMILES CC(C)N1CCN[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r|
Show InChI InChI=1S/C19H29Cl2N5O/c1-14(2)26-6-5-22-16(13-26)12-24-7-9-25(10-8-24)19(27)23-15-3-4-17(20)18(21)11-15/h3-4,11,14,16,22H,5-10,12-13H2,1-2H3,(H,23,27)/t16-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385464
PNG
(CHEMBL2036762)
Show SMILES Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r|
Show InChI InChI=1S/C21H31ClN4O/c1-16-4-5-18(13-20(16)22)23-21(27)25-11-9-24(10-12-25)14-17-3-2-8-26(15-17)19-6-7-19/h4-5,13,17,19H,2-3,6-12,14-15H2,1H3,(H,23,27)/t17-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385466
PNG
(CHEMBL2036760)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r|
Show InChI InChI=1S/C21H28ClF3N4O/c22-19-12-16(3-6-18(19)21(23,24)25)26-20(30)28-10-8-27(9-11-28)13-15-2-1-7-29(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,26,30)/t15-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385475
PNG
(CHEMBL2036777)
Show SMILES CC(C)N1CCN[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r|
Show InChI InChI=1S/C19H29Cl2N5O/c1-14(2)26-6-5-22-16(13-26)12-24-7-9-25(10-8-24)19(27)23-15-3-4-17(20)18(21)11-15/h3-4,11,14,16,22H,5-10,12-13H2,1-2H3,(H,23,27)/t16-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385451
PNG
(CHEMBL2036781)
Show SMILES Clc1ccc(NC(=O)N2CCN(CC2)C(=O)[C@H]2CN(CCN2)C2CC2)cc1Cl |r|
Show InChI InChI=1S/C19H25Cl2N5O2/c20-15-4-1-13(11-16(15)21)23-19(28)25-9-7-24(8-10-25)18(27)17-12-26(6-5-22-17)14-2-3-14/h1,4,11,14,17,22H,2-3,5-10,12H2,(H,23,28)/t17-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385465
PNG
(CHEMBL2036761)
Show SMILES FC(F)(F)c1cc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)ccc1Cl |r|
Show InChI InChI=1S/C21H28ClF3N4O/c22-19-6-3-16(12-18(19)21(23,24)25)26-20(30)28-10-8-27(9-11-28)13-15-2-1-7-29(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,26,30)/t15-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385472
PNG
(CHEMBL2036751)
Show SMILES CCN1CCC[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r|
Show InChI InChI=1S/C19H28Cl2N4O/c1-2-23-7-3-4-15(13-23)14-24-8-10-25(11-9-24)19(26)22-16-5-6-17(20)18(21)12-16/h5-6,12,15H,2-4,7-11,13-14H2,1H3,(H,22,26)/t15-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385451
PNG
(CHEMBL2036781)
Show SMILES Clc1ccc(NC(=O)N2CCN(CC2)C(=O)[C@H]2CN(CCN2)C2CC2)cc1Cl |r|
Show InChI InChI=1S/C19H25Cl2N5O2/c20-15-4-1-13(11-16(15)21)23-19(28)25-9-7-24(8-10-25)18(27)17-12-26(6-5-22-17)14-2-3-14/h1,4,11,14,17,22H,2-3,5-10,12H2,(H,23,28)/t17-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385456
PNG
(CHEMBL2036775)
Show SMILES CC(C)N1CCO[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r|
Show InChI InChI=1S/C19H28Cl2N4O2/c1-14(2)25-9-10-27-16(13-25)12-23-5-7-24(8-6-23)19(26)22-15-3-4-17(20)18(21)11-15/h3-4,11,14,16H,5-10,12-13H2,1-2H3,(H,22,26)/t16-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385479
PNG
(CHEMBL2036755)
Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(CCc4ccccc4)C3)CC2)cc1Cl |r|
Show InChI InChI=1S/C25H32Cl2N4O/c26-23-9-8-22(17-24(23)27)28-25(32)31-15-13-30(14-16-31)19-21-7-4-11-29(18-21)12-10-20-5-2-1-3-6-20/h1-3,5-6,8-9,17,21H,4,7,10-16,18-19H2,(H,28,32)/t21-/m1/s1
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n/an/a 42n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385467
PNG
(CHEMBL2036759)
Show SMILES Fc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r|
Show InChI InChI=1S/C20H28ClFN4O/c21-18-12-16(3-6-19(18)22)23-20(27)25-10-8-24(9-11-25)13-15-2-1-7-26(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,23,27)/t15-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385471
PNG
(CHEMBL2036754)
Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(CC4CC4)C3)CC2)cc1Cl |r|
Show InChI InChI=1S/C21H30Cl2N4O/c22-19-6-5-18(12-20(19)23)24-21(28)27-10-8-25(9-11-27)14-17-2-1-7-26(15-17)13-16-3-4-16/h5-6,12,16-17H,1-4,7-11,13-15H2,(H,24,28)/t17-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385452
PNG
(CHEMBL2036780)
Show SMILES CCN1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C18H25Cl2N5O2/c1-2-23-6-5-21-16(12-23)17(26)24-7-9-25(10-8-24)18(27)22-13-3-4-14(19)15(20)11-13/h3-4,11,16,21H,2,5-10,12H2,1H3,(H,22,27)/t16-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385461
PNG
(CHEMBL2036764)
Show SMILES Brc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1 |r|
Show InChI InChI=1S/C20H29BrN4O/c21-17-3-5-18(6-4-17)22-20(26)24-12-10-23(11-13-24)14-16-2-1-9-25(15-16)19-7-8-19/h3-6,16,19H,1-2,7-15H2,(H,22,26)/t16-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385468
PNG
(CHEMBL2036758)
Show SMILES CC(C)N1CCC[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r|
Show InChI InChI=1S/C20H30Cl2N4O/c1-15(2)26-7-3-4-16(14-26)13-24-8-10-25(11-9-24)20(27)23-17-5-6-18(21)19(22)12-17/h5-6,12,15-16H,3-4,7-11,13-14H2,1-2H3,(H,23,27)/t16-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385469
PNG
(CHEMBL2036757)
Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r|
Show InChI InChI=1S/C20H28Cl2N4O/c21-18-6-3-16(12-19(18)22)23-20(27)25-10-8-24(9-11-25)13-15-2-1-7-26(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,23,27)/t15-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385458
PNG
(CHEMBL2036773)
Show SMILES CCN1CCO[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r|
Show InChI InChI=1S/C18H26Cl2N4O2/c1-2-22-9-10-26-15(12-22)13-23-5-7-24(8-6-23)18(25)21-14-3-4-16(19)17(20)11-14/h3-4,11,15H,2,5-10,12-13H2,1H3,(H,21,25)/t15-/m1/s1
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n/an/a 64n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385470
PNG
(CHEMBL2036756)
Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(CCCc4ccccc4)C3)CC2)cc1Cl |r|
Show InChI InChI=1S/C26H34Cl2N4O/c27-24-11-10-23(18-25(24)28)29-26(33)32-16-14-31(15-17-32)20-22-9-5-13-30(19-22)12-4-8-21-6-2-1-3-7-21/h1-3,6-7,10-11,18,22H,4-5,8-9,12-17,19-20H2,(H,29,33)/t22-/m1/s1
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n/an/a 64n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385459
PNG
(CHEMBL2036767)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1 |r|
Show InChI InChI=1S/C21H29F3N4O/c22-21(23,24)17-3-5-18(6-4-17)25-20(29)27-12-10-26(11-13-27)14-16-2-1-9-28(15-16)19-7-8-19/h3-6,16,19H,1-2,7-15H2,(H,25,29)/t16-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385449
PNG
(CHEMBL2036783)
Show SMILES CN1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C17H23Cl2N5O2/c1-22-5-4-20-15(11-22)16(25)23-6-8-24(9-7-23)17(26)21-12-2-3-13(18)14(19)10-12/h2-3,10,15,20H,4-9,11H2,1H3,(H,21,26)/t15-/m1/s1
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n/an/a 69n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385467
PNG
(CHEMBL2036759)
Show SMILES Fc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r|
Show InChI InChI=1S/C20H28ClFN4O/c21-18-12-16(3-6-19(18)22)23-20(27)25-10-8-24(9-11-25)13-15-2-1-7-26(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,23,27)/t15-/m0/s1
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n/an/a 75n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385460
PNG
(CHEMBL2036766)
Show SMILES FC(F)(F)c1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)c1 |r|
Show InChI InChI=1S/C21H29F3N4O/c22-21(23,24)17-4-1-5-18(13-17)25-20(29)27-11-9-26(10-12-27)14-16-3-2-8-28(15-16)19-6-7-19/h1,4-5,13,16,19H,2-3,6-12,14-15H2,(H,25,29)/t16-/m0/s1
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n/an/a 98n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385480
PNG
(CHEMBL2036753)
Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(Cc4ccccc4)C3)CC2)cc1Cl |r|
Show InChI InChI=1S/C24H30Cl2N4O/c25-22-9-8-21(15-23(22)26)27-24(31)30-13-11-28(12-14-30)17-20-7-4-10-29(18-20)16-19-5-2-1-3-6-19/h1-3,5-6,8-9,15,20H,4,7,10-14,16-18H2,(H,27,31)/t20-/m0/s1
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n/an/a 99n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385472
PNG
(CHEMBL2036751)
Show SMILES CCN1CCC[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r|
Show InChI InChI=1S/C19H28Cl2N4O/c1-2-23-7-3-4-15(13-23)14-24-8-10-25(11-9-24)19(26)22-16-5-6-17(20)18(21)12-16/h5-6,12,15H,2-4,7-11,13-14H2,1H3,(H,22,26)/t15-/m1/s1
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n/an/a 123n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385463
PNG
(CHEMBL2035000)
Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1 |r|
Show InChI InChI=1S/C20H29ClN4O/c21-17-3-5-18(6-4-17)22-20(26)24-12-10-23(11-13-24)14-16-2-1-9-25(15-16)19-7-8-19/h3-6,16,19H,1-2,7-15H2,(H,22,26)/t16-/m0/s1
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n/an/a 127n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385471
PNG
(CHEMBL2036754)
Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(CC4CC4)C3)CC2)cc1Cl |r|
Show InChI InChI=1S/C21H30Cl2N4O/c22-19-6-5-18(12-20(19)23)24-21(28)27-10-8-25(9-11-27)14-17-2-1-7-26(15-17)13-16-3-4-16/h5-6,12,16-17H,1-4,7-11,13-15H2,(H,24,28)/t17-/m0/s1
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n/an/a 161n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385461
PNG
(CHEMBL2036764)
Show SMILES Brc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1 |r|
Show InChI InChI=1S/C20H29BrN4O/c21-17-3-5-18(6-4-17)22-20(26)24-12-10-23(11-13-24)14-16-2-1-9-25(15-16)19-7-8-19/h3-6,16,19H,1-2,7-15H2,(H,22,26)/t16-/m0/s1
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n/an/a 162n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385474
PNG
(CHEMBL2036748)
Show SMILES CN1CCCC(CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C18H26Cl2N4O/c1-22-6-2-3-14(12-22)13-23-7-9-24(10-8-23)18(25)21-15-4-5-16(19)17(20)11-15/h4-5,11,14H,2-3,6-10,12-13H2,1H3,(H,21,25)
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n/an/a 170n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385462
PNG
(CHEMBL2036763)
Show SMILES Clc1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)c1 |r|
Show InChI InChI=1S/C20H29ClN4O/c21-17-4-1-5-18(13-17)22-20(26)24-11-9-23(10-12-24)14-16-3-2-8-25(15-16)19-6-7-19/h1,4-5,13,16,19H,2-3,6-12,14-15H2,(H,22,26)/t16-/m0/s1
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n/an/a 171n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385472
PNG
(CHEMBL2036751)
Show SMILES CCN1CCC[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r|
Show InChI InChI=1S/C19H28Cl2N4O/c1-2-23-7-3-4-15(13-23)14-24-8-10-25(11-9-24)19(26)22-16-5-6-17(20)18(21)12-16/h5-6,12,15H,2-4,7-11,13-14H2,1H3,(H,22,26)/t15-/m1/s1
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n/an/a 174n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385464
PNG
(CHEMBL2036762)
Show SMILES Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r|
Show InChI InChI=1S/C21H31ClN4O/c1-16-4-5-18(13-20(16)22)23-21(27)25-11-9-24(10-12-25)14-17-3-2-8-26(15-17)19-6-7-19/h4-5,13,17,19H,2-3,6-12,14-15H2,1H3,(H,23,27)/t17-/m0/s1
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n/an/a 184n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Rattus norvegicus)
BDBM50385450
PNG
(CHEMBL2036782)
Show SMILES CC(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H27Cl2N5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at rat CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385462
PNG
(CHEMBL2036763)
Show SMILES Clc1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)c1 |r|
Show InChI InChI=1S/C20H29ClN4O/c21-17-4-1-5-18(13-17)22-20(26)24-11-9-23(10-12-24)14-16-3-2-8-25(15-16)19-6-7-19/h1,4-5,13,16,19H,2-3,6-12,14-15H2,(H,22,26)/t16-/m0/s1
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n/an/a 202n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385463
PNG
(CHEMBL2035000)
Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1 |r|
Show InChI InChI=1S/C20H29ClN4O/c21-17-3-5-18(6-4-17)22-20(26)24-12-10-23(11-13-24)14-16-2-1-9-25(15-16)19-7-8-19/h3-6,16,19H,1-2,7-15H2,(H,22,26)/t16-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385480
PNG
(CHEMBL2036753)
Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(Cc4ccccc4)C3)CC2)cc1Cl |r|
Show InChI InChI=1S/C24H30Cl2N4O/c25-22-9-8-21(15-23(22)26)27-24(31)30-13-11-28(12-14-30)17-20-7-4-10-29(18-20)16-19-5-2-1-3-6-19/h1-3,5-6,8-9,15,20H,4,7,10-14,16-18H2,(H,27,31)/t20-/m0/s1
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n/an/a 244n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385457
PNG
(CHEMBL2036774)
Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@H]3CN(CCO3)C3CC3)CC2)cc1Cl |r|
Show InChI InChI=1S/C19H26Cl2N4O2/c20-17-4-1-14(11-18(17)21)22-19(26)24-7-5-23(6-8-24)12-16-13-25(9-10-27-16)15-2-3-15/h1,4,11,15-16H,2-3,5-10,12-13H2,(H,22,26)/t16-/m0/s1
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n/an/a 262n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385457
PNG
(CHEMBL2036774)
Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@H]3CN(CCO3)C3CC3)CC2)cc1Cl |r|
Show InChI InChI=1S/C19H26Cl2N4O2/c20-17-4-1-14(11-18(17)21)22-19(26)24-7-5-23(6-8-24)12-16-13-25(9-10-27-16)15-2-3-15/h1,4,11,15-16H,2-3,5-10,12-13H2,(H,22,26)/t16-/m0/s1
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n/an/a 267n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385458
PNG
(CHEMBL2036773)
Show SMILES CCN1CCO[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r|
Show InChI InChI=1S/C18H26Cl2N4O2/c1-2-22-9-10-26-15(12-22)13-23-5-7-24(8-6-23)18(25)21-14-3-4-16(19)17(20)11-14/h3-4,11,15H,2,5-10,12-13H2,1H3,(H,21,25)/t15-/m1/s1
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n/an/a 277n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385470
PNG
(CHEMBL2036756)
Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(CCCc4ccccc4)C3)CC2)cc1Cl |r|
Show InChI InChI=1S/C26H34Cl2N4O/c27-24-11-10-23(18-25(24)28)29-26(33)32-16-14-31(15-17-32)20-22-9-5-13-30(19-22)12-4-8-21-6-2-1-3-7-21/h1-3,6-7,10-11,18,22H,4-5,8-9,12-17,19-20H2,(H,29,33)/t22-/m1/s1
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n/an/a 280n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
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