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PubMed code 17587570

Compile data set for download or QSAR
Found 34 hits of Enzyme Inhibition Constant Data   
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))		BDBM50216434
PNG
(CHEMBL245686 | dimethyl-(tetrahydro-pyran-4-yl)-{4...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)\C=C\c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)cc1)C1CCOCC1
Show InChI InChI=1S/C30H31F3N2O2/c1-35(2,28-17-19-37-20-18-28)21-23-5-14-27(15-6-23)34-29(36)16-7-22-3-8-24(9-4-22)25-10-12-26(13-11-25)30(31,32)33/h3-16,28H,17-21H2,1-2H3/p+1/b16-7+
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n/an/a 10n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216453
PNG
(CHEMBL247537 | dimethyl-{4-[(E)-3-(4'-methyl-biphe...)
Show SMILES Cc1ccc(cc1)-c1ccc(\C=C\C(=O)Nc2ccc(C[N+](C)(C)C3CCOCC3)cc2)cc1
Show InChI InChI=1S/C30H34N2O2/c1-23-4-11-26(12-5-23)27-13-6-24(7-14-27)10-17-30(33)31-28-15-8-25(9-16-28)22-32(2,3)29-18-20-34-21-19-29/h4-17,29H,18-22H2,1-3H3/p+1/b17-10+
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n/an/a 10n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216435
PNG
(CHEMBL397647 | N-(4-(3,4-dichlorobenzamido)benzyl)...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1
Show InChI InChI=1S/C21H24Cl2N2O2/c1-25(2,18-9-11-27-12-10-18)14-15-3-6-17(7-4-15)24-21(26)16-5-8-19(22)20(23)13-16/h3-8,13,18H,9-12,14H2,1-2H3/p+1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216442
PNG
(CHEMBL393631 | N-(4-(3,4-dichlorobenzamido)benzyl)...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCCC1
Show InChI InChI=1S/C22H26Cl2N2O/c1-26(2,19-6-4-3-5-7-19)15-16-8-11-18(12-9-16)25-22(27)17-10-13-20(23)21(24)14-17/h8-14,19H,3-7,15H2,1-2H3/p+1
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n/an/a 30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216445
PNG
(CHEMBL246520 | N-(4-(3,4-dichlorobenzamido)benzyl)...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCC1
Show InChI InChI=1S/C21H24Cl2N2O/c1-25(2,18-5-3-4-6-18)14-15-7-10-17(11-8-15)24-21(26)16-9-12-19(22)20(23)13-16/h7-13,18H,3-6,14H2,1-2H3/p+1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216431
PNG
(CHEMBL246728 | N-(4-(3,4-dichlorobenzamido)benzyl)...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CC2CCC1C2 |w:26.27,21.22,23.24,TEB:1:21:27:24.25|
Show InChI InChI=1S/C23H26Cl2N2O/c1-27(2,22-12-16-3-6-17(22)11-16)14-15-4-8-19(9-5-15)26-23(28)18-7-10-20(24)21(25)13-18/h4-5,7-10,13,16-17,22H,3,6,11-12,14H2,1-2H3/p+1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216435
PNG
(CHEMBL397647 | N-(4-(3,4-dichlorobenzamido)benzyl)...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1
Show InChI InChI=1S/C21H24Cl2N2O2/c1-25(2,18-9-11-27-12-10-18)14-15-3-6-17(7-4-15)24-21(26)16-5-8-19(22)20(23)13-16/h3-8,13,18H,9-12,14H2,1-2H3/p+1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 receptor in PBMC assessed as inhibition of MCP1-induced calcium mobilization

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216435
PNG
(CHEMBL397647 | N-(4-(3,4-dichlorobenzamido)benzyl)...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1
Show InChI InChI=1S/C21H24Cl2N2O2/c1-25(2,18-9-11-27-12-10-18)14-15-3-6-17(7-4-15)24-21(26)16-5-8-19(22)20(23)13-16/h3-8,13,18H,9-12,14H2,1-2H3/p+1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 receptor in THP1 cells assessed as inhibition of MCP1-induced calcium mobilization

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216432
PNG
(CHEMBL394897 | N-(4-(7-chloro-2H-chromene-3-carbox...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)C2=Cc3ccc(Cl)cc3OC2)cc1)C1CCOCC1 |t:11|
Show InChI InChI=1S/C24H27ClN2O3/c1-27(2,22-9-11-29-12-10-22)15-17-3-7-21(8-4-17)26-24(28)19-13-18-5-6-20(25)14-23(18)30-16-19/h3-8,13-14,22H,9-12,15-16H2,1-2H3/p+1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216447
PNG
(CHEMBL246933 | N-(4-(7-methyl-2H-chromene-3-carbox...)
Show SMILES Cc1ccc2C=C(COc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:5|
Show InChI InChI=1S/C25H30N2O3/c1-18-4-7-20-15-21(17-30-24(20)14-18)25(28)26-22-8-5-19(6-9-22)16-27(2,3)23-10-12-29-13-11-23/h4-9,14-15,23H,10-13,16-17H2,1-3H3/p+1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216446
PNG
(CHEMBL264108 | N-(4-(7-bromo-2H-chromene-3-carboxa...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)C2=Cc3ccc(Br)cc3OC2)cc1)C1CCOCC1 |t:11|
Show InChI InChI=1S/C24H27BrN2O3/c1-27(2,22-9-11-29-12-10-22)15-17-3-7-21(8-4-17)26-24(28)19-13-18-5-6-20(25)14-23(18)30-16-19/h3-8,13-14,22H,9-12,15-16H2,1-2H3/p+1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216444
PNG
(CHEMBL246313 | N-(4-(3,4-dichlorobenzamido)benzyl)...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCSCC1
Show InChI InChI=1S/C21H24Cl2N2OS/c1-25(2,18-9-11-27-12-10-18)14-15-3-6-17(7-4-15)24-21(26)16-5-8-19(22)20(23)13-16/h3-8,13,18H,9-12,14H2,1-2H3/p+1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216455
PNG
(CHEMBL248153 | N-(4-(3-chlorobenzamido)benzyl)-N,N...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1)C1CCOCC1
Show InChI InChI=1S/C21H25ClN2O2/c1-24(2,20-10-12-26-13-11-20)15-16-6-8-19(9-7-16)23-21(25)17-4-3-5-18(22)14-17/h3-9,14,20H,10-13,15H2,1-2H3/p+1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216448
PNG
(CHEMBL248151 | N-(4-(3-bromobenzamido)benzyl)-N,N-...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)C1CCOCC1
Show InChI InChI=1S/C21H25BrN2O2/c1-24(2,20-10-12-26-13-11-20)15-16-6-8-19(9-7-16)23-21(25)17-4-3-5-18(22)14-17/h3-9,14,20H,10-13,15H2,1-2H3/p+1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216454
PNG
(CHEMBL246522 | N-(4-(3,4-dichlorobenzamido)benzyl)...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCCCC1
Show InChI InChI=1S/C23H28Cl2N2O/c1-27(2,20-7-5-3-4-6-8-20)16-17-9-12-19(13-10-17)26-23(28)18-11-14-21(24)22(25)15-18/h9-15,20H,3-8,16H2,1-2H3/p+1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216452
PNG
(CHEMBL245896 | N-(4-(3-chloro-4-fluorobenzamido)be...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1)C1CCOCC1
Show InChI InChI=1S/C21H24ClFN2O2/c1-25(2,18-9-11-27-12-10-18)14-15-3-6-17(7-4-15)24-21(26)16-5-8-20(23)19(22)13-16/h3-8,13,18H,9-12,14H2,1-2H3/p+1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216438
PNG
(CHEMBL245696 | N-(4-(3,5-dichlorobenzamido)benzyl)...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)C1CCOCC1
Show InChI InChI=1S/C21H24Cl2N2O2/c1-25(2,20-7-9-27-10-8-20)14-15-3-5-19(6-4-15)24-21(26)16-11-17(22)13-18(23)12-16/h3-6,11-13,20H,7-10,14H2,1-2H3/p+1
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n/an/a 710n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50216435
PNG
(CHEMBL397647 | N-(4-(3,4-dichlorobenzamido)benzyl)...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1
Show InChI InChI=1S/C21H24Cl2N2O2/c1-25(2,18-9-11-27-12-10-18)14-15-3-6-17(7-4-15)24-21(26)16-5-8-19(22)20(23)13-16/h3-8,13,18H,9-12,14H2,1-2H3/p+1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of MIP1alpha from CCR5 receptor

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216428
PNG
(CHEMBL393632 | N-(4-(3,4-dichlorobenzamido)benzyl)...)
Show SMILES C[N+](C)(CC1CCOCC1)Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C22H26Cl2N2O2/c1-26(2,15-17-9-11-28-12-10-17)14-16-3-6-19(7-4-16)25-22(27)18-5-8-20(23)21(24)13-18/h3-8,13,17H,9-12,14-15H2,1-2H3/p+1
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n/an/a 1.02E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216449
PNG
(CHEMBL396571 | N-(4-(3-(3-fluorophenyl)acrylamido)...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)\C=C\c2cccc(F)c2)cc1)C1CCOCC1
Show InChI InChI=1S/C23H27FN2O2/c1-26(2,22-12-14-28-15-13-22)17-19-6-9-21(10-7-19)25-23(27)11-8-18-4-3-5-20(24)16-18/h3-11,16,22H,12-15,17H2,1-2H3/p+1/b11-8+
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n/an/a 1.81E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216429
PNG
(CHEMBL245497 | N-(4-(4-chlorobenzamido)benzyl)-N,N...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C1CCOCC1
Show InChI InChI=1S/C21H25ClN2O2/c1-24(2,20-11-13-26-14-12-20)15-16-3-9-19(10-4-16)23-21(25)17-5-7-18(22)8-6-17/h3-10,20H,11-15H2,1-2H3/p+1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216437
PNG
(CHEMBL397595 | N-(4-(3-(trifluoromethyl)benzamido)...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1)C1CCOCC1
Show InChI InChI=1S/C22H25F3N2O2/c1-27(2,20-10-12-29-13-11-20)15-16-6-8-19(9-7-16)26-21(28)17-4-3-5-18(14-17)22(23,24)25/h3-9,14,20H,10-13,15H2,1-2H3/p+1
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n/an/a 2.05E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216427
PNG
(CHEMBL246725 | N-(4-(3-(3,4-dichlorophenyl)acrylam...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)\C=C\c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1
Show InChI InChI=1S/C23H26Cl2N2O2/c1-27(2,20-11-13-29-14-12-20)16-18-3-7-19(8-4-18)26-23(28)10-6-17-5-9-21(24)22(25)15-17/h3-10,15,20H,11-14,16H2,1-2H3/p+1/b10-6+
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n/an/a 2.55E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216440
PNG
(CHEMBL436822 | N-(4-(3-cyanobenzamido)benzyl)-N,N-...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)c2cccc(c2)C#N)cc1)C1CCOCC1
Show InChI InChI=1S/C22H25N3O2/c1-25(2,21-10-12-27-13-11-21)16-17-6-8-20(9-7-17)24-22(26)19-5-3-4-18(14-19)15-23/h3-9,14,21H,10-13,16H2,1-2H3/p+1
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n/an/a 3.25E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216451
PNG
(CHEMBL245290 | dimethyl-{4-[(4'-methyl-biphenyl-3-...)
Show SMILES Cc1ccc(cc1)-c1cccc(c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1
Show InChI InChI=1S/C28H32N2O2/c1-21-7-11-23(12-8-21)24-5-4-6-25(19-24)28(31)29-26-13-9-22(10-14-26)20-30(2,3)27-15-17-32-18-16-27/h4-14,19,27H,15-18,20H2,1-3H3/p+1
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n/an/a 3.44E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216430
PNG
(CHEMBL245289 | N-(4-(3-methylbenzamido)benzyl)-N,N...)
Show SMILES Cc1cccc(c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1
Show InChI InChI=1S/C22H28N2O2/c1-17-5-4-6-19(15-17)22(25)23-20-9-7-18(8-10-20)16-24(2,3)21-11-13-26-14-12-21/h4-10,15,21H,11-14,16H2,1-3H3/p+1
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n/an/a 4.25E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216441
PNG
(CHEMBL247949 | N-(4-benzamidobenzyl)-N,N-dimethyl-...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)c2ccccc2)cc1)C1CCOCC1
Show InChI InChI=1S/C21H26N2O2/c1-23(2,20-12-14-25-15-13-20)16-17-8-10-19(11-9-17)22-21(24)18-6-4-3-5-7-18/h3-11,20H,12-16H2,1-2H3/p+1
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n/an/a 4.75E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216439
PNG
(CHEMBL245694 | N-(4-(2,4-dichlorobenzamido)benzyl)...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C21H24Cl2N2O2/c1-25(2,18-9-11-27-12-10-18)14-15-3-6-17(7-4-15)24-21(26)19-8-5-16(22)13-20(19)23/h3-8,13,18H,9-12,14H2,1-2H3/p+1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216436
PNG
(CHEMBL393835 | N-(4-((3,4-dichlorobenzamido)methyl...)
Show SMILES C[N+](C)(Cc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1
Show InChI InChI=1S/C22H26Cl2N2O2/c1-26(2,19-9-11-28-12-10-19)15-17-5-3-16(4-6-17)14-25-22(27)18-7-8-20(23)21(24)13-18/h3-8,13,19H,9-12,14-15H2,1-2H3/p+1
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n/an/a 8.95E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216450
PNG
(CHEMBL248358 | N-(4-(3-methoxybenzamido)benzyl)-N,...)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1
Show InChI InChI=1S/C22H28N2O3/c1-24(2,20-11-13-27-14-12-20)16-17-7-9-19(10-8-17)23-22(25)18-5-4-6-21(15-18)26-3/h4-10,15,20H,11-14,16H2,1-3H3/p+1
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n/an/a 9.55E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216443
PNG
(CHEMBL245498 | N-(4-(2-chlorobenzamido)benzyl)-N,N...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)c2ccccc2Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C21H25ClN2O2/c1-24(2,18-11-13-26-14-12-18)15-16-7-9-17(10-8-16)23-21(25)19-5-3-4-6-20(19)22/h3-10,18H,11-15H2,1-2H3/p+1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216426
PNG
(CHEMBL397646 | N-(4-(2,3-dichlorobenzamido)benzyl)...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C21H24Cl2N2O2/c1-25(2,17-10-12-27-13-11-17)14-15-6-8-16(9-7-15)24-21(26)18-4-3-5-19(22)20(18)23/h3-9,17H,10-14H2,1-2H3/p+1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216433
PNG
(CHEMBL246729 | N-(4-(3,4-dichlorobenzamido)pheneth...)
Show SMILES C[N+](C)(CCc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1
Show InChI InChI=1S/C22H26Cl2N2O2/c1-26(2,19-10-13-28-14-11-19)12-9-16-3-6-18(7-4-16)25-22(27)17-5-8-20(23)21(24)15-17/h3-8,15,19H,9-14H2,1-2H3/p+1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216425
PNG
(CHEMBL246104 | N-(3-(3,4-dichlorobenzamido)benzyl)...)
Show SMILES C[N+](C)(Cc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1)C1CCOCC1
Show InChI InChI=1S/C21H24Cl2N2O2/c1-25(2,18-8-10-27-11-9-18)14-15-4-3-5-17(12-15)24-21(26)16-6-7-19(22)20(23)13-16/h3-7,12-13,18H,8-11,14H2,1-2H3/p+1
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n/an/a 1.14E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%