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PubMed code 15454235

Compile data set for download or QSAR
Found 29 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))		BDBM50153917
PNG
(3-{1-Hydroxy-3-[4-(4-methanesulfonyl-benzyl)-[1,4]...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)cc1
Show InChI InChI=1S/C28H34N2O4S/c1-35(33,34)27-13-11-23(12-14-27)22-30-17-6-16-29(19-20-30)18-15-28(32,24-7-3-2-4-8-24)25-9-5-10-26(31)21-25/h2-5,7-14,21,31-32H,6,15-20,22H2,1H3
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n/an/a 710n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153933
PNG
(4-{4-[3-Hydroxy-3-(3-hydroxy-phenyl)-3-phenyl-prop...)
Show SMILES NS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)cc1
Show InChI InChI=1S/C27H33N3O4S/c28-35(33,34)26-12-10-22(11-13-26)21-30-16-5-15-29(18-19-30)17-14-27(32,23-6-2-1-3-7-23)24-8-4-9-25(31)20-24/h1-4,6-13,20,31-32H,5,14-19,21H2,(H2,28,33,34)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153927
PNG
(3-{1-(4-Fluoro-phenyl)-1-hydroxy-3-[4-(4-methanesu...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(F)cc3)c3cccc(O)c3)CC2)cc1
Show InChI InChI=1S/C28H33FN2O4S/c1-36(34,35)27-12-6-22(7-13-27)21-31-16-3-15-30(18-19-31)17-14-28(33,23-8-10-25(29)11-9-23)24-4-2-5-26(32)20-24/h2,4-13,20,32-33H,3,14-19,21H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153922
PNG
(3-{1-(4-Chloro-phenyl)-1-hydroxy-3-[4-(4-methanesu...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(Cl)cc3)c3cccc(O)c3)CC2)cc1
Show InChI InChI=1S/C28H33ClN2O4S/c1-36(34,35)27-12-6-22(7-13-27)21-31-16-3-15-30(18-19-31)17-14-28(33,23-8-10-25(29)11-9-23)24-4-2-5-26(32)20-24/h2,4-13,20,32-33H,3,14-19,21H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153910
PNG
(1,1-di(3-hydroxyphenyl)-3-[4-(4-methylsulfonylbenz...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cccc(O)c3)CC2)cc1
Show InChI InChI=1S/C28H34N2O5S/c1-36(34,35)27-11-9-22(10-12-27)21-30-15-4-14-29(17-18-30)16-13-28(33,23-5-2-7-25(31)19-23)24-6-3-8-26(32)20-24/h2-3,5-12,19-20,31-33H,4,13-18,21H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell; not determined

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153920
PNG
(3-{1-(3-Fluoro-phenyl)-1-hydroxy-3-[4-(4-methanesu...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cccc(F)c3)CC2)cc1
Show InChI InChI=1S/C28H33FN2O4S/c1-36(34,35)27-11-9-22(10-12-27)21-31-15-4-14-30(17-18-31)16-13-28(33,23-5-2-7-25(29)19-23)24-6-3-8-26(32)20-24/h2-3,5-12,19-20,32-33H,4,13-18,21H2,1H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153912
PNG
(1-(3-Hydroxymethyl-phenyl)-3-[4-(4-methanesulfonyl...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(CO)c3)CC2)cc1
Show InChI InChI=1S/C29H36N2O4S/c1-36(34,35)28-13-11-24(12-14-28)22-31-17-6-16-30(19-20-31)18-15-29(33,26-8-3-2-4-9-26)27-10-5-7-25(21-27)23-32/h2-5,7-14,21,32-33H,6,15-20,22-23H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153919
PNG
(3-[4-(4-Methanesulfonyl-benzyl)-[1,4]diazepan-1-yl...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C28H34N2O3S/c1-34(32,33)27-15-13-24(14-16-27)23-30-19-8-18-29(21-22-30)20-17-28(31,25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-7,9-16,31H,8,17-23H2,1H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153925
PNG
(1-(3-Amino-phenyl)-3-[4-(4-methanesulfonyl-benzyl)...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(N)c3)CC2)cc1
Show InChI InChI=1S/C28H35N3O3S/c1-35(33,34)27-13-11-23(12-14-27)22-31-17-6-16-30(19-20-31)18-15-28(32,24-7-3-2-4-8-24)25-9-5-10-26(29)21-25/h2-5,7-14,21,32H,6,15-20,22,29H2,1H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153934
PNG
(3-{1-(3-Chloro-phenyl)-1-hydroxy-3-[4-(4-methanesu...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cccc(Cl)c3)CC2)cc1
Show InChI InChI=1S/C28H33ClN2O4S/c1-36(34,35)27-11-9-22(10-12-27)21-31-15-4-14-30(17-18-31)16-13-28(33,23-5-2-7-25(29)19-23)24-6-3-8-26(32)20-24/h2-3,5-12,19-20,32-33H,4,13-18,21H2,1H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153913
PNG
(3-[4-(4-Methanesulfonyl-benzyl)-[1,4]diazepan-1-yl...)
Show SMILES CNc1cccc(c1)C(O)(CCN1CCCN(Cc2ccc(cc2)S(C)(=O)=O)CC1)c1ccccc1
Show InChI InChI=1S/C29H37N3O3S/c1-30-27-11-6-10-26(22-27)29(33,25-8-4-3-5-9-25)16-19-31-17-7-18-32(21-20-31)23-24-12-14-28(15-13-24)36(2,34)35/h3-6,8-15,22,30,33H,7,16-21,23H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153937
PNG
(4-Methyl-thiophene-2-carboxylic acid N''-(2-{4-[3-...)
Show SMILES Cc1csc(c1)C(=O)NNC(=O)CN1CCCN(CCC(O)(c2ccccc2)c2cccc(O)c2)CC1
Show InChI InChI=1S/C28H34N4O4S/c1-21-17-25(37-20-21)27(35)30-29-26(34)19-32-13-6-12-31(15-16-32)14-11-28(36,22-7-3-2-4-8-22)23-9-5-10-24(33)18-23/h2-5,7-10,17-18,20,33,36H,6,11-16,19H2,1H3,(H,29,34)(H,30,35)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153935
PNG
(1,1-Bis-(4-fluoro-phenyl)-3-[4-(4-methanesulfonyl-...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C28H32F2N2O3S/c1-36(34,35)27-13-3-22(4-14-27)21-32-17-2-16-31(19-20-32)18-15-28(33,23-5-9-25(29)10-6-23)24-7-11-26(30)12-8-24/h3-14,33H,2,15-21H2,1H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153926
PNG
(4-Methyl-thiophene-2-carboxylic acid N''-{2-[4-(4-...)
Show SMILES Cc1csc(c1)C(=O)NNC(=O)CN1CCCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C20H25ClN4O2S/c1-15-11-18(28-14-15)20(27)23-22-19(26)13-25-8-2-7-24(9-10-25)12-16-3-5-17(21)6-4-16/h3-6,11,14H,2,7-10,12-13H2,1H3,(H,22,26)(H,23,27)
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n/an/a 7.40E+3n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153936
PNG
(3-[4-(4-Methanesulfonyl-benzyl)-[1,4]diazepan-1-yl...)
Show SMILES COc1cccc(c1)C(O)(CCN1CCCN(Cc2ccc(cc2)S(C)(=O)=O)CC1)c1ccccc1
Show InChI InChI=1S/C29H36N2O4S/c1-35-27-11-6-10-26(22-27)29(32,25-8-4-3-5-9-25)16-19-30-17-7-18-31(21-20-30)23-24-12-14-28(15-13-24)36(2,33)34/h3-6,8-15,22,32H,7,16-21,23H2,1-2H3
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n/an/a 7.90E+3n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153924
PNG
(3-{1-(3,5-Difluoro-phenyl)-1-hydroxy-3-[4-(4-metha...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cc(F)cc(F)c3)CC2)cc1
Show InChI InChI=1S/C28H32F2N2O4S/c1-37(35,36)27-8-6-21(7-9-27)20-32-12-3-11-31(14-15-32)13-10-28(34,22-4-2-5-26(33)18-22)23-16-24(29)19-25(30)17-23/h2,4-9,16-19,33-34H,3,10-15,20H2,1H3
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n/an/a 9.30E+3n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153911
PNG
(1-(3,3-Diphenyl-propyl)-4-pyridin-4-ylmethyl-[1,4]...)
Show SMILES C(CN1CCCN(Cc2ccncc2)CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H31N3/c1-3-8-24(9-4-1)26(25-10-5-2-6-11-25)14-19-28-17-7-18-29(21-20-28)22-23-12-15-27-16-13-23/h1-6,8-13,15-16,26H,7,14,17-22H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153915
PNG
(1,1-Bis-(4-chloro-phenyl)-3-[4-(4-methanesulfonyl-...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1
Show InChI InChI=1S/C28H32Cl2N2O3S/c1-36(34,35)27-13-3-22(4-14-27)21-32-17-2-16-31(19-20-32)18-15-28(33,23-5-9-25(29)10-6-23)24-7-11-26(30)12-8-24/h3-14,33H,2,15-21H2,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153916
PNG
(1-(3-Fluoro-phenyl)-3-[4-(4-methanesulfonyl-benzyl...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(F)c3)CC2)cc1
Show InChI InChI=1S/C28H33FN2O3S/c1-35(33,34)27-13-11-23(12-14-27)22-31-17-6-16-30(19-20-31)18-15-28(32,24-7-3-2-4-8-24)25-9-5-10-26(29)21-25/h2-5,7-14,21,32H,6,15-20,22H2,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153931
PNG
(1-(3,3-Diphenyl-propyl)-4-(4-methanesulfonyl-benzy...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C28H34N2O2S/c1-33(31,32)27-15-13-24(14-16-27)23-30-19-8-18-29(21-22-30)20-17-28(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-7,9-16,28H,8,17-23H2,1H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153928
PNG
(3-[4-(4-Methanesulfonyl-benzyl)-[1,4]diazepan-1-yl...)
Show SMILES Cc1cccc(c1)C(O)(CCN1CCCN(Cc2ccc(cc2)S(C)(=O)=O)CC1)c1ccccc1
Show InChI InChI=1S/C29H36N2O3S/c1-24-8-6-11-27(22-24)29(32,26-9-4-3-5-10-26)16-19-30-17-7-18-31(21-20-30)23-25-12-14-28(15-13-25)35(2,33)34/h3-6,8-15,22,32H,7,16-21,23H2,1-2H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153930
PNG
(1-(3,3-Diphenyl-propyl)-4-(4-nitro-benzyl)-[1,4]di...)
Show SMILES [O-][N+](=O)c1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H31N3O2/c31-30(32)26-14-12-23(13-15-26)22-29-18-7-17-28(20-21-29)19-16-27(24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-6,8-15,27H,7,16-22H2
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n/an/a 1.90E+4n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153923
PNG
(1,1-di(4-hydroxyphenyl)-3-[4-(4-methylsulfonylbenz...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(O)cc3)c3ccc(O)cc3)CC2)cc1
Show InChI InChI=1S/C28H34N2O5S/c1-36(34,35)27-13-3-22(4-14-27)21-30-17-2-16-29(19-20-30)18-15-28(33,23-5-9-25(31)10-6-23)24-7-11-26(32)12-8-24/h3-14,31-33H,2,15-21H2,1H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153918
PNG
(CHEMBL362889 | Thiophene-2-carboxylic acid N''-(2-...)
Show SMILES Oc1cccc(c1)C(O)(CCN1CCCN(CC(=O)NNC(=O)c2cccs2)CC1)c1ccccc1
Show InChI InChI=1S/C27H32N4O4S/c32-23-10-4-9-22(19-23)27(35,21-7-2-1-3-8-21)12-15-30-13-6-14-31(17-16-30)20-25(33)28-29-26(34)24-11-5-18-36-24/h1-5,7-11,18-19,32,35H,6,12-17,20H2,(H,28,33)(H,29,34)
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n/an/a 2.80E+4n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153932
PNG
(CHEMBL185282 | Thiophene-2-carboxylic acid N''-{2-...)
Show SMILES Clc1ccc(CN2CCCN(CC(=O)NNC(=O)c3cccs3)CC2)cc1
Show InChI InChI=1S/C19H23ClN4O2S/c20-16-6-4-15(5-7-16)13-23-8-2-9-24(11-10-23)14-18(25)21-22-19(26)17-3-1-12-27-17/h1,3-7,12H,2,8-11,13-14H2,(H,21,25)(H,22,26)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153909
PNG
(1,1-Bis-(3-fluoro-phenyl)-3-[4-(4-methanesulfonyl-...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(F)c3)c3cccc(F)c3)CC2)cc1
Show InChI InChI=1S/C28H32F2N2O3S/c1-36(34,35)27-11-9-22(10-12-27)21-32-15-4-14-31(17-18-32)16-13-28(33,23-5-2-7-25(29)19-23)24-6-3-8-26(30)20-24/h2-3,5-12,19-20,33H,4,13-18,21H2,1H3
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n/an/a 3.40E+4n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153921
PNG
(4-[4-(3,3-Diphenyl-propyl)-[1,4]diazepan-1-ylmethy...)
Show SMILES N#Cc1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C28H31N3/c29-22-24-12-14-25(15-13-24)23-31-18-7-17-30(20-21-31)19-16-28(26-8-3-1-4-9-26)27-10-5-2-6-11-27/h1-6,8-15,28H,7,16-21,23H2
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n/an/a 4.30E+4n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153929
PNG
(1,1-Bis-(4-dimethylamino-phenyl)-3-[4-(4-methanesu...)
Show SMILES CN(C)c1ccc(cc1)C(O)(CCN1CCCN(Cc2ccc(cc2)S(C)(=O)=O)CC1)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C32H44N4O3S/c1-33(2)29-13-9-27(10-14-29)32(37,28-11-15-30(16-12-28)34(3)4)19-22-35-20-6-21-36(24-23-35)25-26-7-17-31(18-8-26)40(5,38)39/h7-18,37H,6,19-25H2,1-5H3
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n/an/a 4.50E+4n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50153914
PNG
(1-(4-Chloro-benzyl)-4-(4-methanesulfonyl-benzyl)-[...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCCN(Cc3ccc(Cl)cc3)CC2)cc1
Show InChI InChI=1S/C20H25ClN2O2S/c1-26(24,25)20-9-5-18(6-10-20)16-23-12-2-11-22(13-14-23)15-17-3-7-19(21)8-4-17/h3-10H,2,11-16H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute for Bio-medical Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell

Bioorg Med Chem Lett 14: 5407-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.008
BindingDB Entry DOI: 10.7270/Q2125S4T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%