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PubMed code 17929797

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))
BDBM50224496
PNG
((S,E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-...)
Show SMILES OC(=O)[C@H](C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C29H30F3N3O3/c30-23-15-18(16-24(31)27(23)32)5-6-26(36)34-11-9-20(10-12-34)28(29(37)38)35-13-7-19(8-14-35)22-17-33-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,33H,7-14H2,(H,37,38)/b6-5+/t28-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 expressed in THP1 cells assessed as MCP1-induced calcium flux


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224501
PNG
((E)-2-(4-(7-methoxy-1H-indol-3-yl)piperidin-1-yl)-...)
Show SMILES COc1cccc2c(c[nH]c12)C1CCN(CC1)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)C(O)=O |w:17.41|
Show InChI InChI=1S/C30H32F3N3O4/c1-40-25-4-2-3-21-22(17-34-28(21)25)19-7-13-36(14-8-19)29(30(38)39)20-9-11-35(12-10-20)26(37)6-5-18-15-23(31)27(33)24(32)16-18/h2-6,15-17,19-20,29,34H,7-14H2,1H3,(H,38,39)/b6-5+
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224496
PNG
((S,E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-...)
Show SMILES OC(=O)[C@H](C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C29H30F3N3O3/c30-23-15-18(16-24(31)27(23)32)5-6-26(36)34-11-9-20(10-12-34)28(29(37)38)35-13-7-19(8-14-35)22-17-33-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,33H,7-14H2,(H,37,38)/b6-5+/t28-/m0/s1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224500
PNG
((E)-2-(4-(5-amino-1H-indol-3-yl)piperidin-1-yl)-2-...)
Show SMILES Nc1ccc2[nH]cc(C3CCN(CC3)C(C3CCN(CC3)C(=O)\C=C\c3cc(F)c(F)c(F)c3)C(O)=O)c2c1 |w:14.36|
Show InChI InChI=1S/C29H31F3N4O3/c30-23-13-17(14-24(31)27(23)32)1-4-26(37)35-9-7-19(8-10-35)28(29(38)39)36-11-5-18(6-12-36)22-16-34-25-3-2-20(33)15-21(22)25/h1-4,13-16,18-19,28,34H,5-12,33H2,(H,38,39)/b4-1+
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224523
PNG
((E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)c(Cl)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.2|
Show InChI InChI=1S/C29H31Cl2N3O3/c30-24-7-5-19(17-25(24)31)6-8-27(35)33-13-11-21(12-14-33)28(29(36)37)34-15-9-20(10-16-34)23-18-32-26-4-2-1-3-22(23)26/h1-8,17-18,20-21,28,32H,9-16H2,(H,36,37)/b8-6+
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224502
PNG
((E)-2-(4-(2-methyl-1H-indol-3-yl)piperidin-1-yl)-2...)
Show SMILES Cc1[nH]c2ccccc2c1C1CCN(CC1)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)C(O)=O |w:16.40|
Show InChI InChI=1S/C30H32F3N3O3/c1-18-27(22-4-2-3-5-25(22)34-18)20-8-14-36(15-9-20)29(30(38)39)21-10-12-35(13-11-21)26(37)7-6-19-16-23(31)28(33)24(32)17-19/h2-7,16-17,20-21,29,34H,8-15H2,1H3,(H,38,39)/b7-6+
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224511
PNG
((E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.24|
Show InChI InChI=1S/C29H30F3N3O3/c30-23-15-18(16-24(31)27(23)32)5-6-26(36)34-11-9-20(10-12-34)28(29(37)38)35-13-7-19(8-14-35)22-17-33-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,33H,7-14H2,(H,37,38)/b6-5+
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n/an/a 5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224524
PNG
((E)-2-(4-(5-(methylsulfonamido)-1H-indol-3-yl)pipe...)
Show SMILES CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(CC3)C(C3CCN(CC3)C(=O)\C=C\c3cc(F)c(F)c(F)c3)C(O)=O)c2c1 |w:18.40|
Show InChI InChI=1S/C30H33F3N4O5S/c1-43(41,42)35-21-3-4-26-22(16-21)23(17-34-26)19-6-12-37(13-7-19)29(30(39)40)20-8-10-36(11-9-20)27(38)5-2-18-14-24(31)28(33)25(32)15-18/h2-5,14-17,19-20,29,34-35H,6-13H2,1H3,(H,39,40)/b5-2+
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n/an/a 6.30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224519
PNG
((E)-2-(4-(6-chloro-1H-indol-3-yl)piperidin-1-yl)-2...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2cc(Cl)ccc12 |w:3.2|
Show InChI InChI=1S/C29H29ClF3N3O3/c30-20-2-3-21-22(16-34-25(21)15-20)18-5-11-36(12-6-18)28(29(38)39)19-7-9-35(10-8-19)26(37)4-1-17-13-23(31)27(33)24(32)14-17/h1-4,13-16,18-19,28,34H,5-12H2,(H,38,39)/b4-1+
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n/an/a 7.70n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224512
PNG
(2-(1-((4-(trifluoromethoxy)phenyl)carbamoyl)piperi...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.2|
Show InChI InChI=1S/C28H31F3N4O4/c29-28(30,31)39-21-7-5-20(6-8-21)33-27(38)35-15-11-19(12-16-35)25(26(36)37)34-13-9-18(10-14-34)23-17-32-24-4-2-1-3-22(23)24/h1-8,17-19,25,32H,9-16H2,(H,33,38)(H,36,37)
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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
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224510
PNG
((E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(4...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1ccc(cc1)C(F)(F)F)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.2|
Show InChI InChI=1S/C30H32F3N3O3/c31-30(32,33)23-8-5-20(6-9-23)7-10-27(37)35-15-13-22(14-16-35)28(29(38)39)36-17-11-21(12-18-36)25-19-34-26-4-2-1-3-24(25)26/h1-10,19,21-22,28,34H,11-18H2,(H,38,39)/b10-7+
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n/an/a 15n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224508
PNG
((E)-2-(4-(5-hydroxy-1H-indol-3-yl)piperidin-1-yl)-...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccc(O)cc12 |w:3.2|
Show InChI InChI=1S/C29H30F3N3O4/c30-23-13-17(14-24(31)27(23)32)1-4-26(37)34-9-7-19(8-10-34)28(29(38)39)35-11-5-18(6-12-35)22-16-33-25-3-2-20(36)15-21(22)25/h1-4,13-16,18-19,28,33,36H,5-12H2,(H,38,39)/b4-1+
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224521
PNG
((E)-2-(4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl)-...)
Show SMILES COc1ccc2[nH]cc(C3CCN(CC3)C(C3CCN(CC3)C(=O)\C=C\c3cc(F)c(F)c(F)c3)C(O)=O)c2c1 |w:15.37|
Show InChI InChI=1S/C30H32F3N3O4/c1-40-21-3-4-26-22(16-21)23(17-34-26)19-6-12-36(13-7-19)29(30(38)39)20-8-10-35(11-9-20)27(37)5-2-18-14-24(31)28(33)25(32)15-18/h2-5,14-17,19-20,29,34H,6-13H2,1H3,(H,38,39)/b5-2+
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224506
PNG
((E)-2-(4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl)-2...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2cc(F)ccc12 |w:3.2|
Show InChI InChI=1S/C29H29F4N3O3/c30-20-2-3-21-22(16-34-25(21)15-20)18-5-11-36(12-6-18)28(29(38)39)19-7-9-35(10-8-19)26(37)4-1-17-13-23(31)27(33)24(32)14-17/h1-4,13-16,18-19,28,34H,5-12H2,(H,38,39)/b4-1+
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224499
PNG
((E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)cc(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.2|
Show InChI InChI=1S/C29H31F2N3O3/c30-22-15-19(16-23(31)17-22)5-6-27(35)33-11-9-21(10-12-33)28(29(36)37)34-13-7-20(8-14-34)25-18-32-26-4-2-1-3-24(25)26/h1-6,15-18,20-21,28,32H,7-14H2,(H,36,37)/b6-5+
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224516
PNG
(2-(1-((3,4-dichlorophenyl)carbamoyl)piperidin-4-yl...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.3|
Show InChI InChI=1S/C27H30Cl2N4O3/c28-22-6-5-19(15-23(22)29)31-27(36)33-13-9-18(10-14-33)25(26(34)35)32-11-7-17(8-12-32)21-16-30-24-4-2-1-3-20(21)24/h1-6,15-18,25,30H,7-14H2,(H,31,36)(H,34,35)
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n/an/a 25n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224498
PNG
((E)-2-(4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl)-2...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccc(F)cc12 |w:3.2|
Show InChI InChI=1S/C29H29F4N3O3/c30-20-2-3-25-21(15-20)22(16-34-25)18-5-11-36(12-6-18)28(29(38)39)19-7-9-35(10-8-19)26(37)4-1-17-13-23(31)27(33)24(32)14-17/h1-4,13-16,18-19,28,34H,5-12H2,(H,38,39)/b4-1+
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224515
PNG
((E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-cinna...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1ccccc1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.3|
Show InChI InChI=1S/C29H33N3O3/c33-27(11-10-21-6-2-1-3-7-21)31-16-14-23(15-17-31)28(29(34)35)32-18-12-22(13-19-32)25-20-30-26-9-5-4-8-24(25)26/h1-11,20,22-23,28,30H,12-19H2,(H,34,35)/b11-10+
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n/an/a 80n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224505
PNG
((E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-p-...)
Show SMILES Cc1ccc(\C=C\C(=O)N2CCC(CC2)C(N2CCC(CC2)c2c[nH]c3ccccc23)C(O)=O)cc1 |w:15.15|
Show InChI InChI=1S/C30H35N3O3/c1-21-6-8-22(9-7-21)10-11-28(34)32-16-14-24(15-17-32)29(30(35)36)33-18-12-23(13-19-33)26-20-31-27-5-3-2-4-25(26)27/h2-11,20,23-24,29,31H,12-19H2,1H3,(H,35,36)/b11-10+
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n/an/a 115n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224517
PNG
(2-(1-((4-(trifluoromethyl)phenyl)carbamoyl)piperid...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)Nc1ccc(cc1)C(F)(F)F)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.2|
Show InChI InChI=1S/C28H31F3N4O3/c29-28(30,31)20-5-7-21(8-6-20)33-27(38)35-15-11-19(12-16-35)25(26(36)37)34-13-9-18(10-14-34)23-17-32-24-4-2-1-3-22(23)24/h1-8,17-19,25,32H,9-16H2,(H,33,38)(H,36,37)
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n/an/a 120n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224514
PNG
((R,E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-...)
Show SMILES OC(=O)[C@@H](C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C29H30F3N3O3/c30-23-15-18(16-24(31)27(23)32)5-6-26(36)34-11-9-20(10-12-34)28(29(37)38)35-13-7-19(8-14-35)22-17-33-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,33H,7-14H2,(H,37,38)/b6-5+/t28-/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224507
PNG
((E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(4...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.2|
Show InChI InChI=1S/C29H32N4O5/c34-27(10-7-20-5-8-23(9-6-20)33(37)38)31-15-13-22(14-16-31)28(29(35)36)32-17-11-21(12-18-32)25-19-30-26-4-2-1-3-24(25)26/h1-10,19,21-22,28,30H,11-18H2,(H,35,36)/b10-7+
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n/an/a 210n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224503
PNG
(2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3,4-d...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)CCc1ccc(Cl)c(Cl)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.2|
Show InChI InChI=1S/C29H33Cl2N3O3/c30-24-7-5-19(17-25(24)31)6-8-27(35)33-13-11-21(12-14-33)28(29(36)37)34-15-9-20(10-16-34)23-18-32-26-4-2-1-3-22(23)26/h1-5,7,17-18,20-21,28,32H,6,8-16H2,(H,36,37)
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n/an/a 320n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224520
PNG
((E)-1-(4-((4-(1H-indol-3-yl)piperidin-1-yl)methyl)...)
Show SMILES Fc1cc(\C=C\C(=O)N2CCC(CN3CCC(CC3)c3c[nH]c4ccccc34)CC2)cc(F)c1F
Show InChI InChI=1S/C28H30F3N3O/c29-24-15-20(16-25(30)28(24)31)5-6-27(35)34-13-7-19(8-14-34)18-33-11-9-21(10-12-33)23-17-32-26-4-2-1-3-22(23)26/h1-6,15-17,19,21,32H,7-14,18H2/b6-5+
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n/an/a 470n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224513
PNG
((E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(4...)
Show SMILES COc1ccc(\C=C\C(=O)N2CCC(CC2)C(N2CCC(CC2)c2c[nH]c3ccccc23)C(O)=O)cc1 |w:16.35|
Show InChI InChI=1S/C30H35N3O4/c1-37-24-9-6-21(7-10-24)8-11-28(34)32-16-14-23(15-17-32)29(30(35)36)33-18-12-22(13-19-33)26-20-31-27-5-3-2-4-25(26)27/h2-11,20,22-23,29,31H,12-19H2,1H3,(H,35,36)/b11-8+
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n/an/a 660n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224495
PNG
(2-(1-((3,5-dichlorophenyl)carbamoyl)piperidin-4-yl...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.3|
Show InChI InChI=1S/C27H30Cl2N4O3/c28-19-13-20(29)15-21(14-19)31-27(36)33-11-7-18(8-12-33)25(26(34)35)32-9-5-17(6-10-32)23-16-30-24-4-2-1-3-22(23)24/h1-4,13-18,25,30H,5-12H2,(H,31,36)(H,34,35)
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n/an/a 720n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224522
PNG
(2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(phenylca...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)Nc1ccccc1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.20|
Show InChI InChI=1S/C27H32N4O3/c32-26(33)25(20-12-16-31(17-13-20)27(34)29-21-6-2-1-3-7-21)30-14-10-19(11-15-30)23-18-28-24-9-5-4-8-22(23)24/h1-9,18-20,25,28H,10-17H2,(H,29,34)(H,32,33)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224504
PNG
((E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3...)
Show SMILES NC(=O)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.24|
Show InChI InChI=1S/C29H31F3N4O2/c30-23-15-18(16-24(31)27(23)32)5-6-26(37)35-11-9-20(10-12-35)28(29(33)38)36-13-7-19(8-14-36)22-17-34-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,34H,7-14H2,(H2,33,38)/b6-5+
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n/an/a 1.80E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)
BDBM50224496
PNG
((S,E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-...)
Show SMILES OC(=O)[C@H](C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C29H30F3N3O3/c30-23-15-18(16-24(31)27(23)32)5-6-26(36)34-11-9-20(10-12-34)28(29(37)38)35-13-7-19(8-14-35)22-17-33-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,33H,7-14H2,(H,37,38)/b6-5+/t28-/m0/s1
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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]-rat MCP1 from rat CCR2 receptor in monocytes


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)
BDBM50224496
PNG
((S,E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-...)
Show SMILES OC(=O)[C@H](C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C29H30F3N3O3/c30-23-15-18(16-24(31)27(23)32)5-6-26(36)34-11-9-20(10-12-34)28(29(37)38)35-13-7-19(8-14-35)22-17-33-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,33H,7-14H2,(H,37,38)/b6-5+/t28-/m0/s1
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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]-mouse MCP1 from CCR2 in mouse WEHI265.1 cells


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)
BDBM50224496
PNG
((S,E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-...)
Show SMILES OC(=O)[C@H](C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C29H30F3N3O3/c30-23-15-18(16-24(31)27(23)32)5-6-26(36)34-11-9-20(10-12-34)28(29(37)38)35-13-7-19(8-14-35)22-17-33-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,33H,7-14H2,(H,37,38)/b6-5+/t28-/m0/s1
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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]-mouse MCP1 from CCR2 in mouse peripheral blood monocytes


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224509
PNG
((E)-methyl 2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(...)
Show SMILES COC(=O)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:4.25|
Show InChI InChI=1S/C30H32F3N3O3/c1-39-30(38)29(36-14-8-20(9-15-36)23-18-34-26-5-3-2-4-22(23)26)21-10-12-35(13-11-21)27(37)7-6-19-16-24(31)28(33)25(32)17-19/h2-7,16-18,20-21,29,34H,8-15H2,1H3/b7-6+
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n/an/a 3.30E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224518
PNG
((E)-2-(4-(1-acetyl-1H-indol-3-yl)piperidin-1-yl)-2...)
Show SMILES CC(=O)n1cc(C2CCN(CC2)C(C2CCN(CC2)C(=O)\C=C\c2cc(F)cc(F)c2)C(O)=O)c2ccccc12 |w:12.33|
Show InChI InChI=1S/C31H33F2N3O4/c1-20(37)36-19-27(26-4-2-3-5-28(26)36)22-8-14-35(15-9-22)30(31(39)40)23-10-12-34(13-11-23)29(38)7-6-21-16-24(32)18-25(33)17-21/h2-7,16-19,22-23,30H,8-15H2,1H3,(H,39,40)/b7-6+
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n/an/a 3.40E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224497
PNG
(2-(1-((2,3-dichlorophenyl)carbamoyl)piperidin-4-yl...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)Nc1cccc(Cl)c1Cl)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.3|
Show InChI InChI=1S/C27H30Cl2N4O3/c28-21-5-3-7-23(24(21)29)31-27(36)33-14-10-18(11-15-33)25(26(34)35)32-12-8-17(9-13-32)20-16-30-22-6-2-1-4-19(20)22/h1-7,16-18,25,30H,8-15H2,(H,31,36)(H,34,35)
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n/an/a 6.80E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%