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PubMed code 19237282

Compile data set for download or QSAR
Found 47 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))		BDBM50257994
PNG
((1S,3R)-N-(3,5-bis(-trifluoromethyl)benzyl)-1-iso ...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C24H32F6N2O2/c1-14(2)22(6-4-19(11-22)32-20-5-7-34-13-15(20)3)21(33)31-12-16-8-17(23(25,26)27)10-18(9-16)24(28,29)30/h8-10,14-15,19-20,32H,4-7,11-13H2,1-3H3,(H,31,33)/t15?,19-,20?,22+/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257994
PNG
((1S,3R)-N-(3,5-bis(-trifluoromethyl)benzyl)-1-iso ...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C24H32F6N2O2/c1-14(2)22(6-4-19(11-22)32-20-5-7-34-13-15(20)3)21(33)31-12-16-8-17(23(25,26)27)10-18(9-16)24(28,29)30/h8-10,14-15,19-20,32H,4-7,11-13H2,1-3H3,(H,31,33)/t15?,19-,20?,22+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257994
PNG
((1S,3R)-N-(3,5-bis(-trifluoromethyl)benzyl)-1-iso ...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C24H32F6N2O2/c1-14(2)22(6-4-19(11-22)32-20-5-7-34-13-15(20)3)21(33)31-12-16-8-17(23(25,26)27)10-18(9-16)24(28,29)30/h8-10,14-15,19-20,32H,4-7,11-13H2,1-3H3,(H,31,33)/t15?,19-,20?,22+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257995
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(3-et...)
Show SMILES CCC1COCCC1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C25H34F6N2O2/c1-4-17-14-35-8-6-21(17)33-20-5-7-23(12-20,15(2)3)22(34)32-13-16-9-18(24(26,27)28)11-19(10-16)25(29,30)31/h9-11,15,17,20-21,33H,4-8,12-14H2,1-3H3,(H,32,34)/t17?,20-,21?,23+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50258046
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benz yl)-3-(3-f...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1F)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C23H29F7N2O2/c1-13(2)21(5-3-17(10-21)32-19-4-6-34-12-18(19)24)20(33)31-11-14-7-15(22(25,26)27)9-16(8-14)23(28,29)30/h7-9,13,17-19,32H,3-6,10-12H2,1-2H3,(H,31,33)/t17-,18?,19?,21+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50258046
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benz yl)-3-(3-f...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1F)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C23H29F7N2O2/c1-13(2)21(5-3-17(10-21)32-19-4-6-34-12-18(19)24)20(33)31-11-14-7-15(22(25,26)27)9-16(8-14)23(28,29)30/h7-9,13,17-19,32H,3-6,10-12H2,1-2H3,(H,31,33)/t17-,18?,19?,21+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50258090
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1C(F)(F)F)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C24H29F9N2O2/c1-13(2)21(5-3-17(10-21)35-19-4-6-37-12-18(19)24(31,32)33)20(36)34-11-14-7-15(22(25,26)27)9-16(8-14)23(28,29)30/h7-9,13,17-19,35H,3-6,10-12H2,1-2H3,(H,34,36)/t17-,18?,19?,21+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50088301
PNG
((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)
Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15|
Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CCR5 (unknown origin)

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257994
PNG
((1S,3R)-N-(3,5-bis(-trifluoromethyl)benzyl)-1-iso ...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C24H32F6N2O2/c1-14(2)22(6-4-19(11-22)32-20-5-7-34-13-15(20)3)21(33)31-12-16-8-17(23(25,26)27)10-18(9-16)24(28,29)30/h8-10,14-15,19-20,32H,4-7,11-13H2,1-3H3,(H,31,33)/t15?,19-,20?,22+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257994
PNG
((1S,3R)-N-(3,5-bis(-trifluoromethyl)benzyl)-1-iso ...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C24H32F6N2O2/c1-14(2)22(6-4-19(11-22)32-20-5-7-34-13-15(20)3)21(33)31-12-16-8-17(23(25,26)27)10-18(9-16)24(28,29)30/h8-10,14-15,19-20,32H,4-7,11-13H2,1-3H3,(H,31,33)/t15?,19-,20?,22+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257995
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(3-et...)
Show SMILES CCC1COCCC1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C25H34F6N2O2/c1-4-17-14-35-8-6-21(17)33-20-5-7-23(12-20,15(2)3)22(34)32-13-16-9-18(24(26,27)28)11-19(10-16)25(29,30)31/h9-11,15,17,20-21,33H,4-8,12-14H2,1-3H3,(H,32,34)/t17?,20-,21?,23+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257995
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(3-et...)
Show SMILES CCC1COCCC1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C25H34F6N2O2/c1-4-17-14-35-8-6-21(17)33-20-5-7-23(12-20,15(2)3)22(34)32-13-16-9-18(24(26,27)28)11-19(10-16)25(29,30)31/h9-11,15,17,20-21,33H,4-8,12-14H2,1-3H3,(H,32,34)/t17?,20-,21?,23+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257995
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(3-et...)
Show SMILES CCC1COCCC1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C25H34F6N2O2/c1-4-17-14-35-8-6-21(17)33-20-5-7-23(12-20,15(2)3)22(34)32-13-16-9-18(24(26,27)28)11-19(10-16)25(29,30)31/h9-11,15,17,20-21,33H,4-8,12-14H2,1-3H3,(H,32,34)/t17?,20-,21?,23+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257841
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1COC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C21H26F6N2O2/c1-12(2)19(4-3-16(8-19)29-17-10-31-11-17)18(30)28-9-13-5-14(20(22,23)24)7-15(6-13)21(25,26)27/h5-7,12,16-17,29H,3-4,8-11H2,1-2H3,(H,28,30)/t16-,19+/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257994
PNG
((1S,3R)-N-(3,5-bis(-trifluoromethyl)benzyl)-1-iso ...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C24H32F6N2O2/c1-14(2)22(6-4-19(11-22)32-20-5-7-34-13-15(20)3)21(33)31-12-16-8-17(23(25,26)27)10-18(9-16)24(28,29)30/h8-10,14-15,19-20,32H,4-7,11-13H2,1-3H3,(H,31,33)/t15?,19-,20?,22+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257898
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C23H30F6N2O2/c1-14(2)21(6-3-19(12-21)31-18-4-7-33-8-5-18)20(32)30-13-15-9-16(22(24,25)26)11-17(10-15)23(27,28)29/h9-11,14,18-19,31H,3-8,12-13H2,1-2H3,(H,30,32)/t19-,21+/m1/s1
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n/an/a 4.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50258043
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)
Show SMILES CCCC1COCCC1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C26H36F6N2O2/c1-4-5-18-15-36-9-7-22(18)34-21-6-8-24(13-21,16(2)3)23(35)33-14-17-10-19(25(27,28)29)12-20(11-17)26(30,31)32/h10-12,16,18,21-22,34H,4-9,13-15H2,1-3H3,(H,33,35)/t18?,21-,22?,24+/m1/s1
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n/an/a 5.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50258090
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1C(F)(F)F)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C24H29F9N2O2/c1-13(2)21(5-3-17(10-21)35-19-4-6-37-12-18(19)24(31,32)33)20(36)34-11-14-7-15(22(25,26)27)9-16(8-14)23(28,29)30/h7-9,13,17-19,35H,3-6,10-12H2,1-2H3,(H,34,36)/t17-,18?,19?,21+/m1/s1
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n/an/a 5.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50258046
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benz yl)-3-(3-f...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1F)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C23H29F7N2O2/c1-13(2)21(5-3-17(10-21)32-19-4-6-34-12-18(19)24)20(33)31-11-14-7-15(22(25,26)27)9-16(8-14)23(28,29)30/h7-9,13,17-19,32H,3-6,10-12H2,1-2H3,(H,31,33)/t17-,18?,19?,21+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50258143
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(3,5-...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1C(C)COCC1C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C25H34F6N2O2/c1-14(2)23(6-5-20(10-23)33-21-15(3)12-35-13-16(21)4)22(34)32-11-17-7-18(24(26,27)28)9-19(8-17)25(29,30)31/h7-9,14-16,20-21,33H,5-6,10-13H2,1-4H3,(H,32,34)/t15?,16?,20-,21?,23+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50258043
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)
Show SMILES CCCC1COCCC1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C26H36F6N2O2/c1-4-5-18-15-36-9-7-22(18)34-21-6-8-24(13-21,16(2)3)23(35)33-14-17-10-19(25(27,28)29)12-20(11-17)26(30,31)32/h10-12,16,18,21-22,34H,4-9,13-15H2,1-3H3,(H,33,35)/t18?,21-,22?,24+/m1/s1
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n/an/a 7.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257841
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1COC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C21H26F6N2O2/c1-12(2)19(4-3-16(8-19)29-17-10-31-11-17)18(30)28-9-13-5-14(20(22,23)24)7-15(6-13)21(25,26)27/h5-7,12,16-17,29H,3-4,8-11H2,1-2H3,(H,28,30)/t16-,19+/m1/s1
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n/an/a 8.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257841
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1COC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C21H26F6N2O2/c1-12(2)19(4-3-16(8-19)29-17-10-31-11-17)18(30)28-9-13-5-14(20(22,23)24)7-15(6-13)21(25,26)27/h5-7,12,16-17,29H,3-4,8-11H2,1-2H3,(H,28,30)/t16-,19+/m1/s1
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n/an/a 8.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257900
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCSCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C23H30F6N2OS/c1-14(2)21(6-3-19(12-21)31-18-4-7-33-8-5-18)20(32)30-13-15-9-16(22(24,25)26)11-17(10-15)23(27,28)29/h9-11,14,18-19,31H,3-8,12-13H2,1-2H3,(H,30,32)/t19-,21+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50088301
PNG
((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)
Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15|
Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50258092
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOC(C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C24H32F6N2O2/c1-14(2)22(6-4-20(12-22)32-19-5-7-34-15(3)8-19)21(33)31-13-16-9-17(23(25,26)27)11-18(10-16)24(28,29)30/h9-11,14-15,19-20,32H,4-8,12-13H2,1-3H3,(H,31,33)/t15?,19?,20-,22+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257899
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCCOCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C24H32F6N2O2/c1-15(2)22(7-5-20(13-22)32-19-4-3-8-34-9-6-19)21(33)31-14-16-10-17(23(25,26)27)12-18(11-16)24(28,29)30/h10-12,15,19-20,32H,3-9,13-14H2,1-2H3,(H,31,33)/t19?,20-,22+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257901
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCSC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C22H28F6N2OS/c1-13(2)20(5-3-17(10-20)30-18-4-6-32-12-18)19(31)29-11-14-7-15(21(23,24)25)9-16(8-14)22(26,27)28/h7-9,13,17-18,30H,3-6,10-12H2,1-2H3,(H,29,31)/t17-,18?,20+/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257994
PNG
((1S,3R)-N-(3,5-bis(-trifluoromethyl)benzyl)-1-iso ...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C24H32F6N2O2/c1-14(2)22(6-4-19(11-22)32-20-5-7-34-13-15(20)3)21(33)31-12-16-8-17(23(25,26)27)10-18(9-16)24(28,29)30/h8-10,14-15,19-20,32H,4-7,11-13H2,1-3H3,(H,31,33)/t15?,19-,20?,22+/m1/s1
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n/an/a 42n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50258045
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(3-hy...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1O)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C23H30F6N2O3/c1-13(2)21(5-3-17(10-21)31-18-4-6-34-12-19(18)32)20(33)30-11-14-7-15(22(24,25)26)9-16(8-14)23(27,28)29/h7-9,13,17-19,31-32H,3-6,10-12H2,1-2H3,(H,30,33)/t17-,18?,19?,21+/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257843
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCCOC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C23H30F6N2O2/c1-14(2)21(6-5-18(11-21)31-19-4-3-7-33-13-19)20(32)30-12-15-8-16(22(24,25)26)10-17(9-15)23(27,28)29/h8-10,14,18-19,31H,3-7,11-13H2,1-2H3,(H,30,32)/t18-,19?,21+/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257792
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(cycl...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCCCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C24H32F6N2O/c1-15(2)22(9-8-20(13-22)32-19-6-4-3-5-7-19)21(33)31-14-16-10-17(23(25,26)27)12-18(11-16)24(28,29)30/h10-12,15,19-20,32H,3-9,13-14H2,1-2H3,(H,31,33)/t20-,22+/m1/s1
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n/an/a 64n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257992
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(2,3-...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C27H30F6N2O/c1-16(2)25(10-9-21(14-25)35-23-8-7-18-5-3-4-6-22(18)23)24(36)34-15-17-11-19(26(28,29)30)13-20(12-17)27(31,32)33/h3-6,11-13,16,21,23,35H,7-10,14-15H2,1-2H3,(H,34,36)/t21-,23?,25+/m1/s1
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n/an/a 77n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257842
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C22H28F6N2O2/c1-13(2)20(5-3-17(10-20)30-18-4-6-32-12-18)19(31)29-11-14-7-15(21(23,24)25)9-16(8-14)22(26,27)28/h7-9,13,17-18,30H,3-6,10-12H2,1-2H3,(H,29,31)/t17-,18?,20+/m1/s1
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n/an/a 85n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50258044
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(3-cy...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1C1CC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C26H34F6N2O2/c1-15(2)24(7-5-20(12-24)34-22-6-8-36-14-21(22)17-3-4-17)23(35)33-13-16-9-18(25(27,28)29)11-19(10-16)26(30,31)32/h9-11,15,17,20-22,34H,3-8,12-14H2,1-2H3,(H,33,35)/t20-,21?,22?,24+/m1/s1
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n/an/a 123n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257791
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(cycl...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C23H30F6N2O/c1-14(2)21(8-7-19(12-21)31-18-5-3-4-6-18)20(32)30-13-15-9-16(22(24,25)26)11-17(10-15)23(27,28)29/h9-11,14,18-19,31H,3-8,12-13H2,1-2H3,(H,30,32)/t19-,21+/m1/s1
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n/an/a 156n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257840
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(cycl...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCCCCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C25H34F6N2O/c1-16(2)23(10-9-21(14-23)33-20-7-5-3-4-6-8-20)22(34)32-15-17-11-18(24(26,27)28)13-19(12-17)25(29,30)31/h11-13,16,20-21,33H,3-10,14-15H2,1-2H3,(H,32,34)/t21-,23+/m1/s1
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n/an/a 175n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257950
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(2,3-...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1Cc2ccccc2C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C27H30F6N2O/c1-16(2)25(8-7-22(14-25)35-23-11-18-5-3-4-6-19(18)12-23)24(36)34-15-17-9-20(26(28,29)30)13-21(10-17)27(31,32)33/h3-6,9-10,13,16,22-23,35H,7-8,11-12,14-15H2,1-2H3,(H,34,36)/t22-,25+/m1/s1
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n/an/a 187n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257789
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(cycl...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C22H28F6N2O/c1-13(2)20(7-6-18(11-20)30-17-4-3-5-17)19(31)29-12-14-8-15(21(23,24)25)10-16(9-14)22(26,27)28/h8-10,13,17-18,30H,3-7,11-12H2,1-2H3,(H,29,31)/t18-,20+/m1/s1
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n/an/a 193n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50258093
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(3,3-...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C25H34F6N2O2/c1-15(2)23(7-5-19(12-23)33-20-6-8-35-14-22(20,3)4)21(34)32-13-16-9-17(24(26,27)28)11-18(10-16)25(29,30)31/h9-11,15,19-20,33H,5-8,12-14H2,1-4H3,(H,32,34)/t19-,20?,23+/m1/s1
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n/an/a 230n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257951
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2ccccc2C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C28H32F6N2O/c1-17(2)26(10-9-24(15-26)36-23-8-7-19-5-3-4-6-20(19)13-23)25(37)35-16-18-11-21(27(29,30)31)14-22(12-18)28(32,33)34/h3-6,11-12,14,17,23-24,36H,7-10,13,15-16H2,1-2H3,(H,35,37)/t23?,24-,26+/m1/s1
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n/an/a 239n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50258046
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benz yl)-3-(3-f...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1F)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C23H29F7N2O2/c1-13(2)21(5-3-17(10-21)32-19-4-6-34-12-18(19)24)20(33)31-11-14-7-15(22(25,26)27)9-16(8-14)23(28,29)30/h7-9,13,17-19,32H,3-6,10-12H2,1-2H3,(H,31,33)/t17-,18?,19?,21+/m1/s1
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n/an/a 259n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50258046
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benz yl)-3-(3-f...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1F)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C23H29F7N2O2/c1-13(2)21(5-3-17(10-21)32-19-4-6-34-12-18(19)24)20(33)31-11-14-7-15(22(25,26)27)9-16(8-14)23(28,29)30/h7-9,13,17-19,32H,3-6,10-12H2,1-2H3,(H,31,33)/t17-,18?,19?,21+/m1/s1
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n/an/a 259n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257790
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NCC1CCOCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C24H32F6N2O2/c1-15(2)22(6-3-20(12-22)31-13-16-4-7-34-8-5-16)21(33)32-14-17-9-18(23(25,26)27)11-19(10-17)24(28,29)30/h9-11,15-16,20,31H,3-8,12-14H2,1-2H3,(H,32,33)/t20-,22+/m1/s1
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n/an/a 362n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257993
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(chro...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOc2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C27H30F6N2O2/c1-16(2)25(9-7-20(14-25)35-22-8-10-37-23-6-4-3-5-21(22)23)24(36)34-15-17-11-18(26(28,29)30)13-19(12-17)27(31,32)33/h3-6,11-13,16,20,22,35H,7-10,14-15H2,1-2H3,(H,34,36)/t20-,22?,25+/m1/s1
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n/an/a 419n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50257949
PNG
((1S,3R)-3-(1,1-Dioxo-hexahydro-1lambda*6*-thiopyra...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCS(=O)(=O)CC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C23H30F6N2O3S/c1-14(2)21(6-3-19(12-21)31-18-4-7-35(33,34)8-5-18)20(32)30-13-15-9-16(22(24,25)26)11-17(10-15)23(27,28)29/h9-11,14,18-19,31H,3-8,12-13H2,1-2H3,(H,30,32)/t19-,21+/m1/s1
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n/an/a 631n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50258091
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(3-hy...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1(O)C(F)(F)F)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C24H29F9N2O3/c1-13(2)20(5-3-17(10-20)35-18-4-6-38-12-21(18,37)24(31,32)33)19(36)34-11-14-7-15(22(25,26)27)9-16(8-14)23(28,29)30/h7-9,13,17-18,35,37H,3-6,10-12H2,1-2H3,(H,34,36)/t17-,18?,20+,21?/m1/s1
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n/an/a 765n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 1830-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.050
BindingDB Entry DOI: 10.7270/Q2GH9HVZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%