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PubMed code 18226895

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))		BDBM50091438
PNG
((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...)
Show SMILES Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1
Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+
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 50n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50233075
PNG
(3-(3,4-dichlorophenyl)-N-((1s,4s)-4-((4-(5-hydroxy...)
Show SMILES Oc1ccc2[nH]cc(C3CCN(C[C@H]4CC[C@H](CC4)NC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 |wU:13.12,16.19,(-.39,-.49,;.95,-1.26,;.94,-2.8,;2.28,-3.57,;3.62,-2.8,;5.1,-3.27,;6,-2.01,;5.08,-.77,;5.54,.7,;7.05,1.02,;7.52,2.48,;6.49,3.62,;6.96,5.09,;8.46,5.41,;8.93,6.87,;10.44,7.19,;11.47,6.04,;10.99,4.58,;9.49,4.26,;12.98,6.36,;14.01,5.22,;15.51,5.53,;13.53,3.75,;14.56,2.61,;14.08,1.14,;12.57,.83,;12.09,-.63,;13.12,-1.78,;12.64,-3.25,;14.63,-1.46,;15.67,-2.6,;15.1,0,;4.98,3.3,;4.51,1.83,;3.61,-1.25,;2.27,-.49,)|
Show InChI InChI=1S/C29H33Cl2N3O2/c30-26-8-3-19(15-27(26)31)4-10-29(36)33-22-5-1-20(2-6-22)18-34-13-11-21(12-14-34)25-17-32-28-9-7-23(35)16-24(25)28/h3-4,7-10,15-17,20-22,32,35H,1-2,5-6,11-14,18H2,(H,33,36)/b10-4+/t20-,22+
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 79n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50233073
PNG
(CHEMBL399472 | N-((1s,4s)-4-((4-(1H-indol-3-yl)pip...)
Show SMILES Clc1ccc(\C=C\C(=O)N[C@@H]2CC[C@H](CN3CCC(CC3)c3c[nH]c4ccccc34)CC2)cc1Cl |wU:13.13,10.9,(-3.35,-3.97,;-2.87,-2.51,;-3.9,-1.36,;-3.42,.1,;-1.91,.41,;-1.44,1.87,;-2.46,3.02,;-1.99,4.48,;-.48,4.8,;-3.01,5.63,;-4.52,5.31,;-5.55,6.46,;-7.06,6.14,;-7.53,4.68,;-9.03,4.36,;-9.5,2.89,;-8.47,1.75,;-8.94,.29,;-10.45,-.04,;-11.49,1.1,;-11.01,2.57,;-10.91,-1.5,;-9.99,-2.74,;-10.89,-4,;-12.38,-3.53,;-13.72,-4.3,;-15.05,-3.53,;-15.05,-1.99,;-13.72,-1.22,;-12.38,-1.98,;-6.5,3.53,;-5,3.85,;-.89,-.73,;-1.36,-2.19,;-.33,-3.33,)|
Show InChI InChI=1S/C29H33Cl2N3O/c30-26-11-7-20(17-27(26)31)8-12-29(35)33-23-9-5-21(6-10-23)19-34-15-13-22(14-16-34)25-18-32-28-4-2-1-3-24(25)28/h1-4,7-8,11-12,17-18,21-23,32H,5-6,9-10,13-16,19H2,(H,33,35)/b12-8+/t21-,23+
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 126n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50233071
PNG
(3-(3,4-dichlorophenyl)-N-((1r,4r)-4-((4-(5-hydroxy...)
Show SMILES Oc1ccc2[nH]cc(C3CCN(C[C@H]4CC[C@@H](CC4)NC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 |wU:13.12,wD:16.19,(-18.39,-14.3,;-17.07,-15.07,;-17.07,-16.62,;-15.74,-17.39,;-14.39,-16.62,;-12.92,-17.09,;-12.02,-15.83,;-12.93,-14.58,;-12.48,-13.12,;-10.96,-12.79,;-10.49,-11.33,;-11.52,-10.19,;-11.05,-8.73,;-9.54,-8.4,;-9.08,-6.94,;-7.57,-6.63,;-6.53,-7.77,;-7.01,-9.23,;-8.51,-9.55,;-5.03,-7.45,;-4,-8.6,;-2.49,-8.28,;-4.48,-10.06,;-3.45,-11.21,;-3.93,-12.67,;-5.44,-12.99,;-5.92,-14.45,;-4.89,-15.6,;-5.36,-17.06,;-3.37,-15.27,;-2.34,-16.41,;-2.9,-13.81,;-13.03,-10.52,;-13.51,-11.99,;-14.4,-15.07,;-15.74,-14.3,)|
Show InChI InChI=1S/C29H33Cl2N3O2/c30-26-8-3-19(15-27(26)31)4-10-29(36)33-22-5-1-20(2-6-22)18-34-13-11-21(12-14-34)25-17-32-28-9-7-23(35)16-24(25)28/h3-4,7-10,15-17,20-22,32,35H,1-2,5-6,11-14,18H2,(H,33,36)/b10-4+/t20-,22-
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 316n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50091454
PNG
((E)-3-(4-Bromo-phenyl)-N-{5-[4-(1H-indol-3-yl)-pip...)
Show SMILES Brc1ccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C27H32BrN3O/c28-23-11-8-21(9-12-23)10-13-27(32)29-16-4-1-5-17-31-18-14-22(15-19-31)25-20-30-26-7-3-2-6-24(25)26/h2-3,6-13,20,22,30H,1,4-5,14-19H2,(H,29,32)/b13-10+
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 350n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50091458
PNG
((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(1H-indol-3-yl...)
Show SMILES Clc1ccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1Cl
Show InChI InChI=1S/C27H31Cl2N3O/c28-24-10-8-20(18-25(24)29)9-11-27(33)30-14-4-1-5-15-32-16-12-21(13-17-32)23-19-31-26-7-3-2-6-22(23)26/h2-3,6-11,18-19,21,31H,1,4-5,12-17H2,(H,30,33)/b11-9+
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 420n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50091465
PNG
((E)-N-(5-(4-(1H-indol-3-yl)piperidin-1-yl)pentyl)-...)
Show SMILES Ic1ccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C27H32IN3O/c28-23-11-8-21(9-12-23)10-13-27(32)29-16-4-1-5-17-31-18-14-22(15-19-31)25-20-30-26-7-3-2-6-24(25)26/h2-3,6-13,20,22,30H,1,4-5,14-19H2,(H,29,32)/b13-10+
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 460n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50091445
PNG
((E)-3-(4-Chloro-phenyl)-N-{5-[4-(1H-indol-3-yl)-pi...)
Show SMILES Clc1ccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C27H32ClN3O/c28-23-11-8-21(9-12-23)10-13-27(32)29-16-4-1-5-17-31-18-14-22(15-19-31)25-20-30-26-7-3-2-6-24(25)26/h2-3,6-13,20,22,30H,1,4-5,14-19H2,(H,29,32)/b13-10+
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 520n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50091471
PNG
((E)-N-(5-(4-(1H-indol-3-yl)piperidin-1-yl)pentyl)-...)
Show SMILES Cc1ccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C28H35N3O/c1-22-9-11-23(12-10-22)13-14-28(32)29-17-5-2-6-18-31-19-15-24(16-20-31)26-21-30-27-8-4-3-7-25(26)27/h3-4,7-14,21,24,30H,2,5-6,15-20H2,1H3,(H,29,32)/b14-13+
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 550n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50091460
PNG
((E)-3-(3-Chloro-phenyl)-N-{5-[4-(1H-indol-3-yl)-pi...)
Show SMILES Clc1cccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C27H32ClN3O/c28-23-8-6-7-21(19-23)11-12-27(32)29-15-4-1-5-16-31-17-13-22(14-18-31)25-20-30-26-10-3-2-9-24(25)26/h2-3,6-12,19-20,22,30H,1,4-5,13-18H2,(H,29,32)/b12-11+
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 560n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50233072
PNG
((E)-3-(3,4-Dichloro-phenyl)-N-{4-[4-(1H-indol-3-yl...)
Show SMILES Clc1ccc(\C=C\C(=O)N[C@H]2CC[C@H](CN3CCC(CC3)c3c[nH]c4ccccc34)CC2)cc1Cl |wU:13.13,wD:10.9,(5.81,-3.22,;5.44,-1.73,;3.95,-1.29,;3.58,.19,;4.67,1.26,;4,2.65,;2.46,2.74,;1.78,4.12,;2.64,5.4,;.24,4.24,;-.37,2.8,;-1.9,2.63,;-2.53,1.21,;-1.6,-.02,;-2.21,-1.62,;-1.13,-2.94,;-.09,-4.04,;-.48,-5.51,;-1.97,-5.88,;-3.07,-4.8,;-2.65,-3.31,;-2.39,-7.37,;-1.44,-8.57,;-2.3,-9.85,;-3.77,-9.44,;-5.17,-10.22,;-6.5,-9.45,;-6.5,-7.91,;-5.17,-7.14,;-3.84,-7.9,;-.09,.16,;.54,1.56,;6.16,.84,;6.54,-.65,;8.03,-1.07,)|
Show InChI InChI=1S/C29H33Cl2N3O/c30-26-11-7-20(17-27(26)31)8-12-29(35)33-23-9-5-21(6-10-23)19-34-15-13-22(14-16-34)25-18-32-28-4-2-1-3-24(25)28/h1-4,7-8,11-12,17-18,21-23,32H,5-6,9-10,13-16,19H2,(H,33,35)/b12-8+/t21-,23-
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 631n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50091442
PNG
((E)-3-(3,4-Dichloro-phenyl)-N-{4-[4-(1H-indol-3-yl...)
Show SMILES Clc1ccc(\C=C\C(=O)NCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1Cl
Show InChI InChI=1S/C26H29Cl2N3O/c27-23-9-7-19(17-24(23)28)8-10-26(32)29-13-3-4-14-31-15-11-20(12-16-31)22-18-30-25-6-2-1-5-21(22)25/h1-2,5-10,17-18,20,30H,3-4,11-16H2,(H,29,32)/b10-8+
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 660n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50091467
PNG
((E)-N-(5-(4-(1H-indol-3-yl)piperidin-1-yl)pentyl)-...)
Show SMILES Cc1cccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C28H35N3O/c1-22-8-7-9-23(20-22)12-13-28(32)29-16-5-2-6-17-31-18-14-24(15-19-31)26-21-30-27-11-4-3-10-25(26)27/h3-4,7-13,20-21,24,30H,2,5-6,14-19H2,1H3,(H,29,32)/b13-12+
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 790n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50091448
PNG
((E)-N-(5-(4-(1H-indol-3-yl)piperidin-1-yl)pentyl)-...)
Show SMILES FC(F)(F)c1cccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C28H32F3N3O/c29-28(30,31)23-8-6-7-21(19-23)11-12-27(35)32-15-4-1-5-16-34-17-13-22(14-18-34)25-20-33-26-10-3-2-9-24(25)26/h2-3,6-12,19-20,22,33H,1,4-5,13-18H2,(H,32,35)/b12-11+
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 790n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50091439
PNG
((E)-N-(5-(4-(1H-indol-3-yl)piperidin-1-yl)pentyl)c...)
Show SMILES O=C(NCCCCCN1CCC(CC1)c1c[nH]c2ccccc12)\C=C\c1ccccc1
Show InChI InChI=1S/C27H33N3O/c31-27(14-13-22-9-3-1-4-10-22)28-17-7-2-8-18-30-19-15-23(16-20-30)25-21-29-26-12-6-5-11-24(25)26/h1,3-6,9-14,21,23,29H,2,7-8,15-20H2,(H,28,31)/b14-13+
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 870n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50091468
PNG
((E)-3-(4-Dimethylamino-phenyl)-N-{5-[4-(1H-indol-3...)
Show SMILES CN(C)c1ccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C29H38N4O/c1-32(2)25-13-10-23(11-14-25)12-15-29(34)30-18-6-3-7-19-33-20-16-24(17-21-33)27-22-31-28-9-5-4-8-26(27)28/h4-5,8-15,22,24,31H,3,6-7,16-21H2,1-2H3,(H,30,34)/b15-12+
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 1.20E+3n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50091443
PNG
((E)-3-Biphenyl-4-yl-N-{5-[4-(1H-indol-3-yl)-piperi...)
Show SMILES O=C(NCCCCCN1CCC(CC1)c1c[nH]c2ccccc12)\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C33H37N3O/c37-33(18-15-26-13-16-28(17-14-26)27-9-3-1-4-10-27)34-21-7-2-8-22-36-23-19-29(20-24-36)31-25-35-32-12-6-5-11-30(31)32/h1,3-6,9-18,25,29,35H,2,7-8,19-24H2,(H,34,37)/b18-15+
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 1.45E+3n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50091441
PNG
(1-(3,4-Dichloro-phenyl)-3-{5-[4-(1H-indol-3-yl)-pi...)
Show SMILES Clc1ccc(NC(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1Cl
Show InChI InChI=1S/C25H30Cl2N4O/c26-22-9-8-19(16-23(22)27)30-25(32)28-12-4-1-5-13-31-14-10-18(11-15-31)21-17-29-24-7-3-2-6-20(21)24/h2-3,6-9,16-18,29H,1,4-5,10-15H2,(H2,28,30,32)
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 1.60E+3n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50233074
PNG
((E)-N-(5-(4-(1H-indol-3-yl)piperidin-1-yl)pentyl)-...)
Show SMILES CCCCc1ccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C31H41N3O/c1-2-3-9-25-12-14-26(15-13-25)16-17-31(35)32-20-7-4-8-21-34-22-18-27(19-23-34)29-24-33-30-11-6-5-10-28(29)30/h5-6,10-17,24,27,33H,2-4,7-9,18-23H2,1H3,(H,32,35)/b17-16+
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 1.70E+3n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50091453
PNG
((E)-3-(3,4-Dichloro-phenyl)-N-{3-[4-(1H-indol-3-yl...)
Show SMILES Clc1ccc(\C=C\C(=O)NCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1Cl
Show InChI InChI=1S/C25H27Cl2N3O/c26-22-8-6-18(16-23(22)27)7-9-25(31)28-12-3-13-30-14-10-19(11-15-30)21-17-29-24-5-2-1-4-20(21)24/h1-2,4-9,16-17,19,29H,3,10-15H2,(H,28,31)/b9-7+
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 2.50E+3n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50091446
PNG
((E)-3-(4-Cyano-phenyl)-N-{5-[4-(1H-indol-3-yl)-pip...)
Show SMILES O=C(NCCCCCN1CCC(CC1)c1c[nH]c2ccccc12)\C=C\c1ccc(cc1)C#N
Show InChI InChI=1S/C28H32N4O/c29-20-23-10-8-22(9-11-23)12-13-28(33)30-16-4-1-5-17-32-18-14-24(15-19-32)26-21-31-27-7-3-2-6-25(26)27/h2-3,6-13,21,24,31H,1,4-5,14-19H2,(H,30,33)/b13-12+
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 2.80E+3n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50091464
PNG
(2-(3,4-Dichloro-phenyl)-N-{5-[4-(1H-indol-3-yl)-pi...)
Show SMILES Clc1ccc(CC(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1Cl
Show InChI InChI=1S/C26H31Cl2N3O/c27-23-9-8-19(16-24(23)28)17-26(32)29-12-4-1-5-13-31-14-10-20(11-15-31)22-18-30-25-7-3-2-6-21(22)25/h2-3,6-9,16,18,20,30H,1,4-5,10-15,17H2,(H,29,32)
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 4.40E+3n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50091466
PNG
((E)-3-(2-Chloro-phenyl)-N-{5-[4-(1H-indol-3-yl)-pi...)
Show SMILES Clc1ccccc1\C=C\C(=O)NCCCCCN1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C27H32ClN3O/c28-25-10-4-2-8-22(25)12-13-27(32)29-16-6-1-7-17-31-18-14-21(15-19-31)24-20-30-26-11-5-3-9-23(24)26/h2-5,8-13,20-21,30H,1,6-7,14-19H2,(H,29,32)/b13-12+
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 4.40E+3n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50091459
PNG
(3,4-Dichloro-N-{5-[4-(1H-indol-3-yl)-piperidin-1-y...)
Show SMILES Clc1ccc(cc1Cl)C(=O)NCCCCCN1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C25H29Cl2N3O/c26-22-9-8-19(16-23(22)27)25(31)28-12-4-1-5-13-30-14-10-18(11-15-30)21-17-29-24-7-3-2-6-20(21)24/h2-3,6-9,16-18,29H,1,4-5,10-15H2,(H,28,31)
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 5.10E+3n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50091444
PNG
(Biphenyl-4-carboxylic acid {5-[4-(1H-indol-3-yl)-p...)
Show SMILES O=C(NCCCCCN1CCC(CC1)c1c[nH]c2ccccc12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H35N3O/c35-31(27-15-13-25(14-16-27)24-9-3-1-4-10-24)32-19-7-2-8-20-34-21-17-26(18-22-34)29-23-33-30-12-6-5-11-28(29)30/h1,3-6,9-16,23,26,33H,2,7-8,17-22H2,(H,32,35)
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 5.40E+3n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50091450
PNG
(3-(3,4-Dichloro-phenyl)-N-{5-[4-(1H-indol-3-yl)-pi...)
Show SMILES Clc1ccc(CCC(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1Cl
Show InChI InChI=1S/C27H33Cl2N3O/c28-24-10-8-20(18-25(24)29)9-11-27(33)30-14-4-1-5-15-32-16-12-21(13-17-32)23-19-31-26-7-3-2-6-22(23)26/h2-3,6-8,10,18-19,21,31H,1,4-5,9,11-17H2,(H,30,33)
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 5.90E+3n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50091455
PNG
((E)-3-(4-Hydroxy-phenyl)-N-{5-[4-(1H-indol-3-yl)-p...)
Show SMILES Oc1ccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C27H33N3O2/c31-23-11-8-21(9-12-23)10-13-27(32)28-16-4-1-5-17-30-18-14-22(15-19-30)25-20-29-26-7-3-2-6-24(25)26/h2-3,6-13,20,22,29,31H,1,4-5,14-19H2,(H,28,32)/b13-10+
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 6.30E+3n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50091472
PNG
(4-Bromo-N-{5-[4-(1H-indol-3-yl)-piperidin-1-yl]-pe...)
Show SMILES Brc1ccc(cc1)C(=O)NCCCCCN1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C25H30BrN3O/c26-21-10-8-20(9-11-21)25(30)27-14-4-1-5-15-29-16-12-19(13-17-29)23-18-28-24-7-3-2-6-22(23)24/h2-3,6-11,18-19,28H,1,4-5,12-17H2,(H,27,30)
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 7.10E+3n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50091452
PNG
((E)-3-(4-Acetylamino-phenyl)-N-{5-[4-(1H-indol-3-y...)
Show SMILES CC(=O)Nc1ccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C29H36N4O2/c1-22(34)32-25-12-9-23(10-13-25)11-14-29(35)30-17-5-2-6-18-33-19-15-24(16-20-33)27-21-31-28-8-4-3-7-26(27)28/h3-4,7-14,21,24,31H,2,5-6,15-20H2,1H3,(H,30,35)(H,32,34)/b14-11+
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 1.29E+4n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor

Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%