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PubMed code 19481449

Compile data set for download or QSAR
Found 51 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))		BDBM50268371
PNG
(CHEMBL502247 | N-(2-((1S,2R,4R)-4-(isopropyl(methy...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C(C)C |r|
Show InChI InChI=1S/C28H36F3N3O4S2/c1-18(2)34(3)22-8-13-25(20(15-22)17-40(37,38)24-11-9-23(39-4)10-12-24)33-26(35)16-32-27(36)19-6-5-7-21(14-19)28(29,30)31/h5-7,9-12,14,18,20,22,25H,8,13,15-17H2,1-4H3,(H,32,36)(H,33,35)/t20-,22+,25-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced chemotaxis

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268423
PNG
(CHEMBL497202 | N-(2-((1S,2R,4R)-4-(dimethylamino)-...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C |r|
Show InChI InChI=1S/C26H32F3N3O4S2/c1-32(2)20-7-12-23(18(14-20)16-38(35,36)22-10-8-21(37-3)9-11-22)31-24(33)15-30-25(34)17-5-4-6-19(13-17)26(27,28)29/h4-6,8-11,13,18,20,23H,7,12,14-16H2,1-3H3,(H,30,34)(H,31,33)/t18-,20+,23-/m0/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate reader assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268423
PNG
(CHEMBL497202 | N-(2-((1S,2R,4R)-4-(dimethylamino)-...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C |r|
Show InChI InChI=1S/C26H32F3N3O4S2/c1-32(2)20-7-12-23(18(14-20)16-38(35,36)22-10-8-21(37-3)9-11-22)31-24(33)15-30-25(34)17-5-4-6-19(13-17)26(27,28)29/h4-6,8-11,13,18,20,23H,7,12,14-16H2,1-3H3,(H,30,34)(H,31,33)/t18-,20+,23-/m0/s1
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n/an/a 0.370n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268371
PNG
(CHEMBL502247 | N-(2-((1S,2R,4R)-4-(isopropyl(methy...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C(C)C |r|
Show InChI InChI=1S/C28H36F3N3O4S2/c1-18(2)34(3)22-8-13-25(20(15-22)17-40(37,38)24-11-9-23(39-4)10-12-24)33-26(35)16-32-27(36)19-6-5-7-21(14-19)28(29,30)31/h5-7,9-12,14,18,20,22,25H,8,13,15-17H2,1-4H3,(H,32,36)(H,33,35)/t20-,22+,25-/m0/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate reader assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268424
PNG
(CHEMBL502793 | N-(2-((1S,2R,4R)-4-(diethylamino)-2...)
Show SMILES CCN(CC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 |r|
Show InChI InChI=1S/C28H36F3N3O4S2/c1-4-34(5-2)22-9-14-25(20(16-22)18-40(37,38)24-12-10-23(39-3)11-13-24)33-26(35)17-32-27(36)19-7-6-8-21(15-19)28(29,30)31/h6-8,10-13,15,20,22,25H,4-5,9,14,16-18H2,1-3H3,(H,32,36)(H,33,35)/t20-,22+,25-/m0/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate reader assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50233341
PNG
(2-(3-isopropylureido)-N-(2-((1S,2R)-2-(4-(methylth...)
Show SMILES CSc1ccc(cc1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C28H34F3N5O4S/c1-16(2)33-27(40)36-21-13-10-18(28(29,30)31)14-20(21)26(39)32-15-24(37)34-22-6-4-5-7-23(22)35-25(38)17-8-11-19(41-3)12-9-17/h8-14,16,22-23H,4-7,15H2,1-3H3,(H,32,39)(H,34,37)(H,35,38)(H2,33,36,40)/t22-,23+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced chemotaxis

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268426
PNG
(2-amino-N-(2-((1S,2R,4R)-4-(isopropyl(methyl)amino...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1N)C(F)(F)F)N(C)C(C)C |r|
Show InChI InChI=1S/C28H37F3N4O4S2/c1-17(2)35(3)20-6-12-25(18(13-20)16-41(38,39)22-9-7-21(40-4)8-10-22)34-26(36)15-33-27(37)23-14-19(28(29,30)31)5-11-24(23)32/h5,7-11,14,17-18,20,25H,6,12-13,15-16,32H2,1-4H3,(H,33,37)(H,34,36)/t18-,20+,25-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced chemotaxis

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268371
PNG
(CHEMBL502247 | N-(2-((1S,2R,4R)-4-(isopropyl(methy...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C(C)C |r|
Show InChI InChI=1S/C28H36F3N3O4S2/c1-18(2)34(3)22-8-13-25(20(15-22)17-40(37,38)24-11-9-23(39-4)10-12-24)33-26(35)16-32-27(36)19-6-5-7-21(14-19)28(29,30)31/h5-7,9-12,14,18,20,22,25H,8,13,15-17H2,1-4H3,(H,32,36)(H,33,35)/t20-,22+,25-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268424
PNG
(CHEMBL502793 | N-(2-((1S,2R,4R)-4-(diethylamino)-2...)
Show SMILES CCN(CC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 |r|
Show InChI InChI=1S/C28H36F3N3O4S2/c1-4-34(5-2)22-9-14-25(20(16-22)18-40(37,38)24-12-10-23(39-3)11-13-24)33-26(35)17-32-27(36)19-7-6-8-21(15-19)28(29,30)31/h6-8,10-13,15,20,22,25H,4-5,9,14,16-18H2,1-3H3,(H,32,36)(H,33,35)/t20-,22+,25-/m0/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268426
PNG
(2-amino-N-(2-((1S,2R,4R)-4-(isopropyl(methyl)amino...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1N)C(F)(F)F)N(C)C(C)C |r|
Show InChI InChI=1S/C28H37F3N4O4S2/c1-17(2)35(3)20-6-12-25(18(13-20)16-41(38,39)22-9-7-21(40-4)8-10-22)34-26(36)15-33-27(37)23-14-19(28(29,30)31)5-11-24(23)32/h5,7-11,14,17-18,20,25H,6,12-13,15-16,32H2,1-4H3,(H,33,37)(H,34,36)/t18-,20+,25-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268368
PNG
(CHEMBL496630 | N-(2-((1S,2R,4R)-4-(methylamino)-2-...)
Show SMILES CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 |r|
Show InChI InChI=1S/C25H30F3N3O4S2/c1-29-19-6-11-22(17(13-19)15-37(34,35)21-9-7-20(36-2)8-10-21)31-23(32)14-30-24(33)16-4-3-5-18(12-16)25(26,27)28/h3-5,7-10,12,17,19,22,29H,6,11,13-15H2,1-2H3,(H,30,33)(H,31,32)/t17-,19+,22-/m0/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate reader assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268422
PNG
(CHEMBL502516 | N-(2-((1S,2R,4R)-4-(isopropylamino)...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)NC(C)C |r|
Show InChI InChI=1S/C27H34F3N3O4S2/c1-17(2)32-21-7-12-24(19(14-21)16-39(36,37)23-10-8-22(38-3)9-11-23)33-25(34)15-31-26(35)18-5-4-6-20(13-18)27(28,29)30/h4-6,8-11,13,17,19,21,24,32H,7,12,14-16H2,1-3H3,(H,31,35)(H,33,34)/t19-,21+,24-/m0/s1
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n/an/a 2.05n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268374
PNG
(CHEMBL500175 | tert-butyl 2-(2-((1S,2R,4R)-4-(isop...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)OC(C)(C)C)C(F)(F)F)N(C)C(C)C |r|
Show InChI InChI=1S/C33H45F3N4O6S2/c1-20(2)40(6)23-9-15-27(21(16-23)19-48(44,45)25-12-10-24(47-7)11-13-25)38-29(41)18-37-30(42)26-17-22(33(34,35)36)8-14-28(26)39-31(43)46-32(3,4)5/h8,10-14,17,20-21,23,27H,9,15-16,18-19H2,1-7H3,(H,37,42)(H,38,41)(H,39,43)/t21-,23+,27-/m0/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced chemotaxis

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268423
PNG
(CHEMBL497202 | N-(2-((1S,2R,4R)-4-(dimethylamino)-...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C |r|
Show InChI InChI=1S/C26H32F3N3O4S2/c1-32(2)20-7-12-23(18(14-20)16-38(35,36)22-10-8-21(37-3)9-11-22)31-24(33)15-30-25(34)17-5-4-6-19(13-17)26(27,28)29/h4-6,8-11,13,18,20,23H,7,12,14-16H2,1-3H3,(H,30,34)(H,31,33)/t18-,20+,23-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced chemotaxis

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268366
PNG
(CHEMBL450231 | N-(2-(2-((1S,2R)-2-((4-(methylthio)...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCOCC1)C(F)(F)F |r|
Show InChI InChI=1S/C29H35F3N4O6S2/c1-43-21-7-9-22(10-8-21)44(40,41)18-19-4-2-3-5-24(19)34-26(37)17-33-27(38)23-16-20(29(30,31)32)6-11-25(23)35-28(39)36-12-14-42-15-13-36/h6-11,16,19,24H,2-5,12-15,17-18H2,1H3,(H,33,38)(H,34,37)(H,35,39)/t19-,24-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268368
PNG
(CHEMBL496630 | N-(2-((1S,2R,4R)-4-(methylamino)-2-...)
Show SMILES CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 |r|
Show InChI InChI=1S/C25H30F3N3O4S2/c1-29-19-6-11-22(17(13-19)15-37(34,35)21-9-7-20(36-2)8-10-21)31-23(32)14-30-24(33)16-4-3-5-18(12-16)25(26,27)28/h3-5,7-10,12,17,19,22,29H,6,11,13-15H2,1-2H3,(H,30,33)(H,31,32)/t17-,19+,22-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268364
PNG
(CHEMBL447937 | N-(2-(2-((1S,2R)-2-((4-(methylthio)...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCCC1)C(F)(F)F |r|
Show InChI InChI=1S/C29H35F3N4O5S2/c1-42-21-9-11-22(12-10-21)43(40,41)18-19-6-2-3-7-24(19)34-26(37)17-33-27(38)23-16-20(29(30,31)32)8-13-25(23)35-28(39)36-14-4-5-15-36/h8-13,16,19,24H,2-7,14-15,17-18H2,1H3,(H,33,38)(H,34,37)(H,35,39)/t19-,24-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268422
PNG
(CHEMBL502516 | N-(2-((1S,2R,4R)-4-(isopropylamino)...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)NC(C)C |r|
Show InChI InChI=1S/C27H34F3N3O4S2/c1-17(2)32-21-7-12-24(19(14-21)16-39(36,37)23-10-8-22(38-3)9-11-23)33-25(34)15-31-26(35)18-5-4-6-20(13-18)27(28,29)30/h4-6,8-11,13,17,19,21,24,32H,7,12,14-16H2,1-3H3,(H,31,35)(H,33,34)/t19-,21+,24-/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate reader assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50233341
PNG
(2-(3-isopropylureido)-N-(2-((1S,2R)-2-(4-(methylth...)
Show SMILES CSc1ccc(cc1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C28H34F3N5O4S/c1-16(2)33-27(40)36-21-13-10-18(28(29,30)31)14-20(21)26(39)32-15-24(37)34-22-6-4-5-7-23(22)35-25(38)17-8-11-19(41-3)12-9-17/h8-14,16,22-23H,4-7,15H2,1-3H3,(H,32,39)(H,34,37)(H,35,38)(H2,33,36,40)/t22-,23+/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268365
PNG
(CHEMBL499467 | N-(2-(2-((1S,2R)-2-((4-(methylthio)...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCC1)C(F)(F)F |r|
Show InChI InChI=1S/C28H33F3N4O5S2/c1-41-20-8-10-21(11-9-20)42(39,40)17-18-5-2-3-6-23(18)33-25(36)16-32-26(37)22-15-19(28(29,30)31)7-12-24(22)34-27(38)35-13-4-14-35/h7-12,15,18,23H,2-6,13-14,16-17H2,1H3,(H,32,37)(H,33,36)(H,34,38)/t18-,23-/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268365
PNG
(CHEMBL499467 | N-(2-(2-((1S,2R)-2-((4-(methylthio)...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCC1)C(F)(F)F |r|
Show InChI InChI=1S/C28H33F3N4O5S2/c1-41-20-8-10-21(11-9-20)42(39,40)17-18-5-2-3-6-23(18)33-25(36)16-32-26(37)22-15-19(28(29,30)31)7-12-24(22)34-27(38)35-13-4-14-35/h7-12,15,18,23H,2-6,13-14,16-17H2,1H3,(H,32,37)(H,33,36)(H,34,38)/t18-,23-/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate reader assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268421
PNG
(2-(3,3-diethylureido)-N-(2-((1S,2R)-2-((4-(methylt...)
Show SMILES CCN(CC)C(=O)Nc1ccc(cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C29H37F3N4O5S2/c1-4-36(5-2)28(39)35-25-15-10-20(29(30,31)32)16-23(25)27(38)33-17-26(37)34-24-9-7-6-8-19(24)18-43(40,41)22-13-11-21(42-3)12-14-22/h10-16,19,24H,4-9,17-18H2,1-3H3,(H,33,38)(H,34,37)(H,35,39)/t19-,24-/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268366
PNG
(CHEMBL450231 | N-(2-(2-((1S,2R)-2-((4-(methylthio)...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCOCC1)C(F)(F)F |r|
Show InChI InChI=1S/C29H35F3N4O6S2/c1-43-21-7-9-22(10-8-21)44(40,41)18-19-4-2-3-5-24(19)34-26(37)17-33-27(38)23-16-20(29(30,31)32)6-11-25(23)35-28(39)36-12-14-42-15-13-36/h6-11,16,19,24H,2-5,12-15,17-18H2,1H3,(H,33,38)(H,34,37)(H,35,39)/t19-,24-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced chemotaxis

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268367
PNG
(CHEMBL496432 | N-(2-((1S,2R,4R)-4-amino-2-((4-(met...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@H](N)CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C24H28F3N3O4S2/c1-35-19-6-8-20(9-7-19)36(33,34)14-16-12-18(28)5-10-21(16)30-22(31)13-29-23(32)15-3-2-4-17(11-15)24(25,26)27/h2-4,6-9,11,16,18,21H,5,10,12-14,28H2,1H3,(H,29,32)(H,30,31)/t16-,18+,21-/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate reader assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268363
PNG
(2-(3,3-dimethylureido)-N-(2-((1S,2R)-2-((4-(methyl...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)N(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C27H33F3N4O5S2/c1-34(2)26(37)33-23-13-8-18(27(28,29)30)14-21(23)25(36)31-15-24(35)32-22-7-5-4-6-17(22)16-41(38,39)20-11-9-19(40-3)10-12-20/h8-14,17,22H,4-7,15-16H2,1-3H3,(H,31,36)(H,32,35)(H,33,37)/t17-,22-/m0/s1
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n/an/a 8.10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268369
PNG
(CHEMBL451340 | N-(2-((1S,2R,4R)-4-(benzylamino)-2-...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)NCc1ccccc1 |r|
Show InChI InChI=1S/C31H34F3N3O4S2/c1-42-26-11-13-27(14-12-26)43(40,41)20-23-17-25(35-18-21-6-3-2-4-7-21)10-15-28(23)37-29(38)19-36-30(39)22-8-5-9-24(16-22)31(32,33)34/h2-9,11-14,16,23,25,28,35H,10,15,17-20H2,1H3,(H,36,39)(H,37,38)/t23-,25+,28-/m0/s1
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n/an/a 8.40n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268422
PNG
(CHEMBL502516 | N-(2-((1S,2R,4R)-4-(isopropylamino)...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)NC(C)C |r|
Show InChI InChI=1S/C27H34F3N3O4S2/c1-17(2)32-21-7-12-24(19(14-21)16-39(36,37)23-10-8-22(38-3)9-11-23)33-25(34)15-31-26(35)18-5-4-6-20(13-18)27(28,29)30/h4-6,8-11,13,17,19,21,24,32H,7,12,14-16H2,1-3H3,(H,31,35)(H,33,34)/t19-,21+,24-/m0/s1
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n/an/a 10.4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced chemotaxis

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268364
PNG
(CHEMBL447937 | N-(2-(2-((1S,2R)-2-((4-(methylthio)...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCCC1)C(F)(F)F |r|
Show InChI InChI=1S/C29H35F3N4O5S2/c1-42-21-9-11-22(12-10-21)43(40,41)18-19-6-2-3-7-24(19)34-26(37)17-33-27(38)23-16-20(29(30,31)32)8-13-25(23)35-28(39)36-14-4-5-15-36/h8-13,16,19,24H,2-7,14-15,17-18H2,1H3,(H,33,38)(H,34,37)(H,35,39)/t19-,24-/m0/s1
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n/an/a 11.8n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced chemotaxis

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268374
PNG
(CHEMBL500175 | tert-butyl 2-(2-((1S,2R,4R)-4-(isop...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)OC(C)(C)C)C(F)(F)F)N(C)C(C)C |r|
Show InChI InChI=1S/C33H45F3N4O6S2/c1-20(2)40(6)23-9-15-27(21(16-23)19-48(44,45)25-12-10-24(47-7)11-13-25)38-29(41)18-37-30(42)26-17-22(33(34,35)36)8-14-28(26)39-31(43)46-32(3,4)5/h8,10-14,17,20-21,23,27H,9,15-16,18-19H2,1-7H3,(H,37,42)(H,38,41)(H,39,43)/t21-,23+,27-/m0/s1
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n/an/a 12.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268369
PNG
(CHEMBL451340 | N-(2-((1S,2R,4R)-4-(benzylamino)-2-...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)NCc1ccccc1 |r|
Show InChI InChI=1S/C31H34F3N3O4S2/c1-42-26-11-13-27(14-12-26)43(40,41)20-23-17-25(35-18-21-6-3-2-4-7-21)10-15-28(23)37-29(38)19-36-30(39)22-8-5-9-24(16-22)31(32,33)34/h2-9,11-14,16,23,25,28,35H,10,15,17-20H2,1H3,(H,36,39)(H,37,38)/t23-,25+,28-/m0/s1
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n/an/a 12.7n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced chemotaxis

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268367
PNG
(CHEMBL496432 | N-(2-((1S,2R,4R)-4-amino-2-((4-(met...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@H](N)CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C24H28F3N3O4S2/c1-35-19-6-8-20(9-7-19)36(33,34)14-16-12-18(28)5-10-21(16)30-22(31)13-29-23(32)15-3-2-4-17(11-15)24(25,26)27/h2-4,6-9,11,16,18,21H,5,10,12-14,28H2,1H3,(H,29,32)(H,30,31)/t16-,18+,21-/m0/s1
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n/an/a 13.1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268366
PNG
(CHEMBL450231 | N-(2-(2-((1S,2R)-2-((4-(methylthio)...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCOCC1)C(F)(F)F |r|
Show InChI InChI=1S/C29H35F3N4O6S2/c1-43-21-7-9-22(10-8-21)44(40,41)18-19-4-2-3-5-24(19)34-26(37)17-33-27(38)23-16-20(29(30,31)32)6-11-25(23)35-28(39)36-12-14-42-15-13-36/h6-11,16,19,24H,2-5,12-15,17-18H2,1H3,(H,33,38)(H,34,37)(H,35,39)/t19-,24-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate reader assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268365
PNG
(CHEMBL499467 | N-(2-(2-((1S,2R)-2-((4-(methylthio)...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCC1)C(F)(F)F |r|
Show InChI InChI=1S/C28H33F3N4O5S2/c1-41-20-8-10-21(11-9-20)42(39,40)17-18-5-2-3-6-23(18)33-25(36)16-32-26(37)22-15-19(28(29,30)31)7-12-24(22)34-27(38)35-13-4-14-35/h7-12,15,18,23H,2-6,13-14,16-17H2,1H3,(H,32,37)(H,33,36)(H,34,38)/t18-,23-/m0/s1
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n/an/a 16.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced chemotaxis

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50233341
PNG
(2-(3-isopropylureido)-N-(2-((1S,2R)-2-(4-(methylth...)
Show SMILES CSc1ccc(cc1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C28H34F3N5O4S/c1-16(2)33-27(40)36-21-13-10-18(28(29,30)31)14-20(21)26(39)32-15-24(37)34-22-6-4-5-7-23(22)35-25(38)17-8-11-19(41-3)12-9-17/h8-14,16,22-23H,4-7,15H2,1-3H3,(H,32,39)(H,34,37)(H,35,38)(H2,33,36,40)/t22-,23+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate reader assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268419
PNG
(2-(3-ethylureido)-N-(2-((1S,2R)-2-((4-(methylthio)...)
Show SMILES CCNC(=O)Nc1ccc(cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C27H33F3N4O5S2/c1-3-31-26(37)34-23-13-8-18(27(28,29)30)14-21(23)25(36)32-15-24(35)33-22-7-5-4-6-17(22)16-41(38,39)20-11-9-19(40-2)10-12-20/h8-14,17,22H,3-7,15-16H2,1-2H3,(H,32,36)(H,33,35)(H2,31,34,37)/t17-,22-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate reader assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268363
PNG
(2-(3,3-dimethylureido)-N-(2-((1S,2R)-2-((4-(methyl...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)N(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C27H33F3N4O5S2/c1-34(2)26(37)33-23-13-8-18(27(28,29)30)14-21(23)25(36)31-15-24(35)32-22-7-5-4-6-17(22)16-41(38,39)20-11-9-19(40-3)10-12-20/h8-14,17,22H,4-7,15-16H2,1-3H3,(H,31,36)(H,32,35)(H,33,37)/t17-,22-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate reader assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268367
PNG
(CHEMBL496432 | N-(2-((1S,2R,4R)-4-amino-2-((4-(met...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@H](N)CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C24H28F3N3O4S2/c1-35-19-6-8-20(9-7-19)36(33,34)14-16-12-18(28)5-10-21(16)30-22(31)13-29-23(32)15-3-2-4-17(11-15)24(25,26)27/h2-4,6-9,11,16,18,21H,5,10,12-14,28H2,1H3,(H,29,32)(H,30,31)/t16-,18+,21-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced chemotaxis

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268364
PNG
(CHEMBL447937 | N-(2-(2-((1S,2R)-2-((4-(methylthio)...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCCC1)C(F)(F)F |r|
Show InChI InChI=1S/C29H35F3N4O5S2/c1-42-21-9-11-22(12-10-21)43(40,41)18-19-6-2-3-7-24(19)34-26(37)17-33-27(38)23-16-20(29(30,31)32)8-13-25(23)35-28(39)36-14-4-5-15-36/h8-13,16,19,24H,2-7,14-15,17-18H2,1H3,(H,33,38)(H,34,37)(H,35,39)/t19-,24-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate reader assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268416
PNG
(2-(3-isopropylureido)-N-(2-((1S,2R)-2-((4-(methylt...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C28H35F3N4O5S2/c1-17(2)33-27(38)35-24-13-8-19(28(29,30)31)14-22(24)26(37)32-15-25(36)34-23-7-5-4-6-18(23)16-42(39,40)21-11-9-20(41-3)10-12-21/h8-14,17-18,23H,4-7,15-16H2,1-3H3,(H,32,37)(H,34,36)(H2,33,35,38)/t18-,23-/m0/s1
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n/an/a 26.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268419
PNG
(2-(3-ethylureido)-N-(2-((1S,2R)-2-((4-(methylthio)...)
Show SMILES CCNC(=O)Nc1ccc(cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C27H33F3N4O5S2/c1-3-31-26(37)34-23-13-8-18(27(28,29)30)14-21(23)25(36)32-15-24(35)33-22-7-5-4-6-17(22)16-41(38,39)20-11-9-19(40-2)10-12-20/h8-14,17,22H,3-7,15-16H2,1-2H3,(H,32,36)(H,33,35)(H2,31,34,37)/t17-,22-/m0/s1
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n/an/a 27.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268421
PNG
(2-(3,3-diethylureido)-N-(2-((1S,2R)-2-((4-(methylt...)
Show SMILES CCN(CC)C(=O)Nc1ccc(cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C29H37F3N4O5S2/c1-4-36(5-2)28(39)35-25-15-10-20(29(30,31)32)16-23(25)27(38)33-17-26(37)34-24-9-7-6-8-19(24)18-43(40,41)22-13-11-21(42-3)12-14-22/h10-16,19,24H,4-9,17-18H2,1-3H3,(H,33,38)(H,34,37)(H,35,39)/t19-,24-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate reader assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268416
PNG
(2-(3-isopropylureido)-N-(2-((1S,2R)-2-((4-(methylt...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C28H35F3N4O5S2/c1-17(2)33-27(38)35-24-13-8-19(28(29,30)31)14-22(24)26(37)32-15-25(36)34-23-7-5-4-6-18(23)16-42(39,40)21-11-9-20(41-3)10-12-21/h8-14,17-18,23H,4-7,15-16H2,1-3H3,(H,32,37)(H,34,36)(H2,33,35,38)/t18-,23-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate reader assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268421
PNG
(2-(3,3-diethylureido)-N-(2-((1S,2R)-2-((4-(methylt...)
Show SMILES CCN(CC)C(=O)Nc1ccc(cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C29H37F3N4O5S2/c1-4-36(5-2)28(39)35-25-15-10-20(29(30,31)32)16-23(25)27(38)33-17-26(37)34-24-9-7-6-8-19(24)18-43(40,41)22-13-11-21(42-3)12-14-22/h10-16,19,24H,4-9,17-18H2,1-3H3,(H,33,38)(H,34,37)(H,35,39)/t19-,24-/m0/s1
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n/an/a 39.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced chemotaxis

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268373
PNG
(CHEMBL526180 | N-(2-((1S,2R,4R)-4-(methylsulfonami...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)NS(C)(=O)=O |r|
Show InChI InChI=1S/C25H30F3N3O6S3/c1-38-20-7-9-21(10-8-20)40(36,37)15-17-13-19(31-39(2,34)35)6-11-22(17)30-23(32)14-29-24(33)16-4-3-5-18(12-16)25(26,27)28/h3-5,7-10,12,17,19,22,31H,6,11,13-15H2,1-2H3,(H,29,33)(H,30,32)/t17-,19+,22-/m0/s1
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n/an/a 41.3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268363
PNG
(2-(3,3-dimethylureido)-N-(2-((1S,2R)-2-((4-(methyl...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)N(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C27H33F3N4O5S2/c1-34(2)26(37)33-23-13-8-18(27(28,29)30)14-21(23)25(36)31-15-24(35)32-22-7-5-4-6-17(22)16-41(38,39)20-11-9-19(40-3)10-12-20/h8-14,17,22H,4-7,15-16H2,1-3H3,(H,31,36)(H,32,35)(H,33,37)/t17-,22-/m0/s1
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n/an/a 43.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced chemotaxis

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268420
PNG
(2-(3-cyclopentylureido)-N-(2-((1S,2R)-2-((4-(methy...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC1CCCC1)C(F)(F)F |r|
Show InChI InChI=1S/C30H37F3N4O5S2/c1-43-22-11-13-23(14-12-22)44(41,42)18-19-6-2-5-9-25(19)36-27(38)17-34-28(39)24-16-20(30(31,32)33)10-15-26(24)37-29(40)35-21-7-3-4-8-21/h10-16,19,21,25H,2-9,17-18H2,1H3,(H,34,39)(H,36,38)(H2,35,37,40)/t19-,25-/m0/s1
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n/an/a 44.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268417
PNG
(CHEMBL500786 | tert-butyl 2-(2-((1S,2R)-2-((4-(met...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)OC(C)(C)C)C(F)(F)F |r|
Show InChI InChI=1S/C29H36F3N3O6S2/c1-28(2,3)41-27(38)35-24-14-9-19(29(30,31)32)15-22(24)26(37)33-16-25(36)34-23-8-6-5-7-18(23)17-43(39,40)21-12-10-20(42-4)11-13-21/h9-15,18,23H,5-8,16-17H2,1-4H3,(H,33,37)(H,34,36)(H,35,38)/t18-,23-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268420
PNG
(2-(3-cyclopentylureido)-N-(2-((1S,2R)-2-((4-(methy...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC1CCCC1)C(F)(F)F |r|
Show InChI InChI=1S/C30H37F3N4O5S2/c1-43-22-11-13-23(14-12-22)44(41,42)18-19-6-2-5-9-25(19)36-27(38)17-34-28(39)24-16-20(30(31,32)33)10-15-26(24)37-29(40)35-21-7-3-4-8-21/h10-16,19,21,25H,2-9,17-18H2,1H3,(H,34,39)(H,36,38)(H2,35,37,40)/t19-,25-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate reader assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268372
PNG
(CHEMBL502248 | N-(2-((1S,2R,4R)-4-acetamido-2-((4-...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)NC(C)=O |r|
Show InChI InChI=1S/C26H30F3N3O5S2/c1-16(33)31-20-6-11-23(18(13-20)15-39(36,37)22-9-7-21(38-2)8-10-22)32-24(34)14-30-25(35)17-4-3-5-19(12-17)26(27,28)29/h3-5,7-10,12,18,20,23H,6,11,13-15H2,1-2H3,(H,30,35)(H,31,33)(H,32,34)/t18-,20+,23-/m0/s1
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n/an/a 153n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268418
PNG
(2-amino-N-(2-((1S,2R)-2-((4-(methylthio)phenylsulf...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1N)C(F)(F)F |r|
Show InChI InChI=1S/C24H28F3N3O4S2/c1-35-17-7-9-18(10-8-17)36(33,34)14-15-4-2-3-5-21(15)30-22(31)13-29-23(32)19-12-16(24(25,26)27)6-11-20(19)28/h6-12,15,21H,2-5,13-14,28H2,1H3,(H,29,32)(H,30,31)/t15-,21-/m0/s1
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n/an/a 172n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50268425
PNG
(CHEMBL448989 | N-(2-((1S,2R,4R)-4-(dipropylamino)-...)
Show SMILES CCCN(CCC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 |r|
Show InChI InChI=1S/C30H40F3N3O4S2/c1-4-15-36(16-5-2)24-9-14-27(22(18-24)20-42(39,40)26-12-10-25(41-3)11-13-26)35-28(37)19-34-29(38)21-7-6-8-23(17-21)30(31,32)33/h6-8,10-13,17,22,24,27H,4-5,9,14-16,18-20H2,1-3H3,(H,34,38)(H,35,37)/t22-,24+,27-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay

Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%