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Compile Data Set for Download or QSAR

Found 107 hits with Last Name = 'friedrich' and Initial = 'sr'   
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))
BDBM50219862
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1
Show InChI InChI=1S/C26H34F3N5O3/c1-15-6-7-17(16(2)10-15)12-31-13-21(24(37)34-25(3,4)5)33-22(35)14-32-23(36)19-11-18(26(27,28)29)8-9-20(19)30/h6-11,21,31H,12-14,30H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t21-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in THP1 cells assessed as inhibition of MCP1-induced Ca2+ flux


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219862
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1
Show InChI InChI=1S/C26H34F3N5O3/c1-15-6-7-17(16(2)10-15)12-31-13-21(24(37)34-25(3,4)5)33-22(35)14-32-23(36)19-11-18(26(27,28)29)8-9-20(19)30/h6-11,21,31H,12-14,30H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t21-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219840
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES CCNc1ccc(cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C28H38F3N5O3/c1-7-33-22-11-10-20(28(29,30)31)13-21(22)25(38)34-16-24(37)35-23(26(39)36-27(4,5)6)15-32-14-19-9-8-17(2)12-18(19)3/h8-13,23,32-33H,7,14-16H2,1-6H3,(H,34,38)(H,35,37)(H,36,39)/t23-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219850
PNG
((S)-1-(2-((2-(3-(2,4-dimethylbenzylamino)-1-(tert-...)
Show SMILES CC(C)NC(=O)Nc1ccc(cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C30H41F3N6O4/c1-17(2)36-28(43)38-23-11-10-21(30(31,32)33)13-22(23)26(41)35-16-25(40)37-24(27(42)39-29(5,6)7)15-34-14-20-9-8-18(3)12-19(20)4/h8-13,17,24,34H,14-16H2,1-7H3,(H,35,41)(H,37,40)(H,39,42)(H2,36,38,43)/t24-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219843
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES CNc1cc(cc(c1)C(F)(F)F)C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C
Show InChI InChI=1S/C27H36F3N5O3/c1-16-7-8-18(17(2)9-16)13-32-14-22(25(38)35-26(3,4)5)34-23(36)15-33-24(37)19-10-20(27(28,29)30)12-21(11-19)31-6/h7-12,22,31-32H,13-15H2,1-6H3,(H,33,37)(H,34,36)(H,35,38)/t22-/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
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50133112
PNG
((R)-N-(2-(1-(2,4-dimethylbenzyl)pyrrolidin-3-ylami...)
Show SMILES Cc1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C23H26F3N3O2/c1-15-6-7-18(16(2)10-15)13-29-9-8-20(14-29)28-21(30)12-27-22(31)17-4-3-5-19(11-17)23(24,25)26/h3-7,10-11,20H,8-9,12-14H2,1-2H3,(H,27,31)(H,28,30)/t20-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219847
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES CCNc1cc(cc(c1)C(F)(F)F)C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C
Show InChI InChI=1S/C28H38F3N5O3/c1-7-33-22-12-20(11-21(13-22)28(29,30)31)25(38)34-16-24(37)35-23(26(39)36-27(4,5)6)15-32-14-19-9-8-17(2)10-18(19)3/h8-13,23,32-33H,7,14-16H2,1-6H3,(H,34,38)(H,35,37)(H,36,39)/t23-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219837
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(ccc2NCc2ccccc2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1
Show InChI InChI=1S/C33H40F3N5O3/c1-21-11-12-24(22(2)15-21)18-37-19-28(31(44)41-32(3,4)5)40-29(42)20-39-30(43)26-16-25(33(34,35)36)13-14-27(26)38-17-23-9-7-6-8-10-23/h6-16,28,37-38H,17-20H2,1-5H3,(H,39,43)(H,40,42)(H,41,44)/t28-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219842
PNG
((S)-N-(2-(3-(4-bromo-2-methylbenzylamino)-1-(tert-...)
Show SMILES Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(c1N)C(F)(F)F)C(=O)NC(C)(C)C
Show InChI InChI=1S/C25H31BrF3N5O3/c1-14-10-16(26)9-8-15(14)11-31-12-19(23(37)34-24(2,3)4)33-20(35)13-32-22(36)17-6-5-7-18(21(17)30)25(27,28)29/h5-10,19,31H,11-13,30H2,1-4H3,(H,32,36)(H,33,35)(H,34,37)/t19-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219851
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1
Show InChI InChI=1S/C26H34F3N5O3/c1-15-6-7-17(16(2)8-15)12-31-13-21(24(37)34-25(3,4)5)33-22(35)14-32-23(36)18-9-19(26(27,28)29)11-20(30)10-18/h6-11,21,31H,12-14,30H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t21-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219865
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES CC(C)CNc1ccc(cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C30H42F3N5O3/c1-18(2)14-35-24-11-10-22(30(31,32)33)13-23(24)27(40)36-17-26(39)37-25(28(41)38-29(5,6)7)16-34-15-21-9-8-19(3)12-20(21)4/h8-13,18,25,34-35H,14-17H2,1-7H3,(H,36,40)(H,37,39)(H,38,41)/t25-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219838
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(OC(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1
Show InChI InChI=1S/C26H34F3N5O4/c1-15-6-7-17(16(2)10-15)12-31-13-21(24(37)34-25(3,4)5)33-22(35)14-32-23(36)19-11-18(8-9-20(19)30)38-26(27,28)29/h6-11,21,31H,12-14,30H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t21-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219907
PNG
((S)-N-(2-(3-(4-(dimethylamino)-2-methylbenzylamino...)
Show SMILES CN(C)c1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1
Show InChI InChI=1S/C27H36F3N5O3/c1-17-12-21(35(5)6)11-10-19(17)14-31-15-22(25(38)34-26(2,3)4)33-23(36)16-32-24(37)18-8-7-9-20(13-18)27(28,29)30/h7-13,22,31H,14-16H2,1-6H3,(H,32,37)(H,33,36)(H,34,38)/t22-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219882
PNG
((S)-N-(2-(3-(4-ethyl-2-methylbenzylamino)-1-(tert-...)
Show SMILES CCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1
Show InChI InChI=1S/C27H35F3N4O3/c1-6-18-10-11-20(17(2)12-18)14-31-15-22(25(37)34-26(3,4)5)33-23(35)16-32-24(36)19-8-7-9-21(13-19)27(28,29)30/h7-13,22,31H,6,14-16H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t22-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219857
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-amino-1-ox...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2N)C(F)(F)F)C(N)=O)c(C)c1
Show InChI InChI=1S/C22H26F3N5O3/c1-12-6-7-14(13(2)8-12)9-28-10-17(20(27)32)30-18(31)11-29-21(33)15-4-3-5-16(19(15)26)22(23,24)25/h3-8,17,28H,9-11,26H2,1-2H3,(H2,27,32)(H,29,33)(H,30,31)/t17-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219842
PNG
((S)-N-(2-(3-(4-bromo-2-methylbenzylamino)-1-(tert-...)
Show SMILES Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(c1N)C(F)(F)F)C(=O)NC(C)(C)C
Show InChI InChI=1S/C25H31BrF3N5O3/c1-14-10-16(26)9-8-15(14)11-31-12-19(23(37)34-24(2,3)4)33-20(35)13-32-22(36)17-6-5-7-18(21(17)30)25(27,28)29/h5-10,19,31H,11-13,30H2,1-4H3,(H,32,36)(H,33,35)(H,34,37)/t19-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in THP1 cells assessed as inhibition of MCP1-induced Ca2+ flux


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219837
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(ccc2NCc2ccccc2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1
Show InChI InChI=1S/C33H40F3N5O3/c1-21-11-12-24(22(2)15-21)18-37-19-28(31(44)41-32(3,4)5)40-29(42)20-39-30(43)26-16-25(33(34,35)36)13-14-27(26)38-17-23-9-7-6-8-10-23/h6-16,28,37-38H,17-20H2,1-5H3,(H,39,43)(H,40,42)(H,41,44)/t28-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMCs assessed as inhibition of MCP1-induced chemotaxis


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219886
PNG
((S)-N-(2-(3-(4-methoxy-2-methylbenzylamino)-1-(ter...)
Show SMILES COc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1
Show InChI InChI=1S/C26H33F3N4O4/c1-16-11-20(37-5)10-9-18(16)13-30-14-21(24(36)33-25(2,3)4)32-22(34)15-31-23(35)17-7-6-8-19(12-17)26(27,28)29/h6-12,21,30H,13-15H2,1-5H3,(H,31,35)(H,32,34)(H,33,36)/t21-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219835
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1
Show InChI InChI=1S/C26H33F3N4O3/c1-16-9-10-19(17(2)11-16)13-30-14-21(24(36)33-25(3,4)5)32-22(34)15-31-23(35)18-7-6-8-20(12-18)26(27,28)29/h6-12,21,30H,13-15H2,1-5H3,(H,31,35)(H,32,34)(H,33,36)/t21-/m0/s1
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n/an/a 48n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219835
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1
Show InChI InChI=1S/C26H33F3N4O3/c1-16-9-10-19(17(2)11-16)13-30-14-21(24(36)33-25(3,4)5)32-22(34)15-31-23(35)18-7-6-8-20(12-18)26(27,28)29/h6-12,21,30H,13-15H2,1-5H3,(H,31,35)(H,32,34)(H,33,36)/t21-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in THP1 cells assessed as inhibition of MCP1-induced Ca2+ flux


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219851
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1
Show InChI InChI=1S/C26H34F3N5O3/c1-15-6-7-17(16(2)8-15)12-31-13-21(24(37)34-25(3,4)5)33-22(35)14-32-23(36)18-9-19(26(27,28)29)11-20(30)10-18/h6-11,21,31H,12-14,30H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t21-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in THP1 cells assessed as inhibition of MCP1-induced Ca2+ flux


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219866
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-oxo-1-(2,2...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NCC(F)(F)F)c(C)c1
Show InChI InChI=1S/C24H26F6N4O3/c1-14-6-7-17(15(2)8-14)10-31-11-19(22(37)33-13-23(25,26)27)34-20(35)12-32-21(36)16-4-3-5-18(9-16)24(28,29)30/h3-9,19,31H,10-13H2,1-2H3,(H,32,36)(H,33,37)(H,34,35)/t19-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219837
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(ccc2NCc2ccccc2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1
Show InChI InChI=1S/C33H40F3N5O3/c1-21-11-12-24(22(2)15-21)18-37-19-28(31(44)41-32(3,4)5)40-29(42)20-39-30(43)26-16-25(33(34,35)36)13-14-27(26)38-17-23-9-7-6-8-10-23/h6-16,28,37-38H,17-20H2,1-5H3,(H,39,43)(H,40,42)(H,41,44)/t28-/m0/s1
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n/an/a 57n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in THP1 cells assessed as inhibition of MCP1-induced Ca2+ flux


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219850
PNG
((S)-1-(2-((2-(3-(2,4-dimethylbenzylamino)-1-(tert-...)
Show SMILES CC(C)NC(=O)Nc1ccc(cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C30H41F3N6O4/c1-17(2)36-28(43)38-23-11-10-21(30(31,32)33)13-22(23)26(41)35-16-25(40)37-24(27(42)39-29(5,6)7)15-34-14-20-9-8-18(3)12-19(20)4/h8-13,17,24,34H,14-16H2,1-7H3,(H,35,41)(H,37,40)(H,39,42)(H2,36,38,43)/t24-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in THP1 cells assessed as inhibition of MCP1-induced Ca2+ flux


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219847
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES CCNc1cc(cc(c1)C(F)(F)F)C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C
Show InChI InChI=1S/C28H38F3N5O3/c1-7-33-22-12-20(11-21(13-22)28(29,30)31)25(38)34-16-24(37)35-23(26(39)36-27(4,5)6)15-32-14-19-9-8-17(2)10-18(19)3/h8-13,23,32-33H,7,14-16H2,1-6H3,(H,34,38)(H,35,37)(H,36,39)/t23-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in THP1 cells assessed as inhibition of MCP1-induced Ca2+ flux


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219885
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(cycloprop...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NCC2CC2)c(C)c1
Show InChI InChI=1S/C26H31F3N4O3/c1-16-6-9-20(17(2)10-16)13-30-14-22(25(36)31-12-18-7-8-18)33-23(34)15-32-24(35)19-4-3-5-21(11-19)26(27,28)29/h3-6,9-11,18,22,30H,7-8,12-15H2,1-2H3,(H,31,36)(H,32,35)(H,33,34)/t22-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219894
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1
Show InChI InChI=1S/C27H33F5N4O3/c1-16-9-10-19(17(2)11-16)13-33-14-21(24(39)36-25(3,4)5)35-22(37)15-34-23(38)18-7-6-8-20(12-18)26(28,29)27(30,31)32/h6-12,21,33H,13-15H2,1-5H3,(H,34,38)(H,35,37)(H,36,39)/t21-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219889
PNG
((S)-isopropyl 2-((2-(3-(2,4-dimethylbenzylamino)-1...)
Show SMILES CC(C)OC(=O)Nc1ccc(cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C30H40F3N5O5/c1-17(2)43-28(42)37-23-11-10-21(30(31,32)33)13-22(23)26(40)35-16-25(39)36-24(27(41)38-29(5,6)7)15-34-14-20-9-8-18(3)12-19(20)4/h8-13,17,24,34H,14-16H2,1-7H3,(H,35,40)(H,36,39)(H,37,42)(H,38,41)/t24-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219898
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-amino-1-ox...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(N)=O)c(C)c1
Show InChI InChI=1S/C22H25F3N4O3/c1-13-6-7-16(14(2)8-13)10-27-11-18(20(26)31)29-19(30)12-28-21(32)15-4-3-5-17(9-15)22(23,24)25/h3-9,18,27H,10-12H2,1-2H3,(H2,26,31)(H,28,32)(H,29,30)/t18-/m0/s1
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n/an/a 66n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219898
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-amino-1-ox...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(N)=O)c(C)c1
Show InChI InChI=1S/C22H25F3N4O3/c1-13-6-7-16(14(2)8-13)10-27-11-18(20(26)31)29-19(30)12-28-21(32)15-4-3-5-17(9-15)22(23,24)25/h3-9,18,27H,10-12H2,1-2H3,(H2,26,31)(H,28,32)(H,29,30)/t18-/m0/s1
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n/an/a 69n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in THP1 cells assessed as inhibition of MCP1-induced Ca2+ flux


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219857
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-amino-1-ox...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2N)C(F)(F)F)C(N)=O)c(C)c1
Show InChI InChI=1S/C22H26F3N5O3/c1-12-6-7-14(13(2)8-12)9-28-10-17(20(27)32)30-18(31)11-29-21(33)15-4-3-5-16(19(15)26)22(23,24)25/h3-8,17,28H,9-11,26H2,1-2H3,(H2,27,32)(H,29,33)(H,30,31)/t17-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in THP1 cells assessed as inhibition of MCP1-induced Ca2+ flux


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219840
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES CCNc1ccc(cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C28H38F3N5O3/c1-7-33-22-11-10-20(28(29,30)31)13-21(22)25(38)34-16-24(37)35-23(26(39)36-27(4,5)6)15-32-14-19-9-8-17(2)12-18(19)3/h8-13,23,32-33H,7,14-16H2,1-6H3,(H,34,38)(H,35,37)(H,36,39)/t23-/m0/s1
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n/an/a 84n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in THP1 cells assessed as inhibition of MCP1-induced Ca2+ flux


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219852
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(cycloprop...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC2CC2)c(C)c1
Show InChI InChI=1S/C25H29F3N4O3/c1-15-6-7-18(16(2)10-15)12-29-13-21(24(35)31-20-8-9-20)32-22(33)14-30-23(34)17-4-3-5-19(11-17)25(26,27)28/h3-7,10-11,20-21,29H,8-9,12-14H2,1-2H3,(H,30,34)(H,31,35)(H,32,33)/t21-/m0/s1
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n/an/a 88n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219896
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(ccc2NC(=O)C2CCCCC2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1
Show InChI InChI=1S/C33H44F3N5O4/c1-20-11-12-23(21(2)15-20)17-37-18-27(31(45)41-32(3,4)5)39-28(42)19-38-30(44)25-16-24(33(34,35)36)13-14-26(25)40-29(43)22-9-7-6-8-10-22/h11-16,22,27,37H,6-10,17-19H2,1-5H3,(H,38,44)(H,39,42)(H,40,43)(H,41,45)/t27-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219899
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(cyclobuty...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC2CCC2)c(C)c1
Show InChI InChI=1S/C26H31F3N4O3/c1-16-9-10-19(17(2)11-16)13-30-14-22(25(36)32-21-7-4-8-21)33-23(34)15-31-24(35)18-5-3-6-20(12-18)26(27,28)29/h3,5-6,9-12,21-22,30H,4,7-8,13-15H2,1-2H3,(H,31,35)(H,32,36)(H,33,34)/t22-/m0/s1
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n/an/a 97n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219855
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(cyclopent...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC2CCCC2)c(C)c1
Show InChI InChI=1S/C27H33F3N4O3/c1-17-10-11-20(18(2)12-17)14-31-15-23(26(37)33-22-8-3-4-9-22)34-24(35)16-32-25(36)19-6-5-7-21(13-19)27(28,29)30/h5-7,10-13,22-23,31H,3-4,8-9,14-16H2,1-2H3,(H,32,36)(H,33,37)(H,34,35)/t23-/m0/s1
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n/an/a 99n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219891
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(1-methylc...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC2(C)CC2)c(C)c1
Show InChI InChI=1S/C26H31F3N4O3/c1-16-7-8-19(17(2)11-16)13-30-14-21(24(36)33-25(3)9-10-25)32-22(34)15-31-23(35)18-5-4-6-20(12-18)26(27,28)29/h4-8,11-12,21,30H,9-10,13-15H2,1-3H3,(H,31,35)(H,32,34)(H,33,36)/t21-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219840
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES CCNc1ccc(cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C28H38F3N5O3/c1-7-33-22-11-10-20(28(29,30)31)13-21(22)25(38)34-16-24(37)35-23(26(39)36-27(4,5)6)15-32-14-19-9-8-17(2)12-18(19)3/h8-13,23,32-33H,7,14-16H2,1-6H3,(H,34,38)(H,35,37)(H,36,39)/t23-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMCs assessed as inhibition of MCP1-induced chemotaxis


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219892
PNG
((R)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES Cc1ccc(CNC[C@@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1
Show InChI InChI=1S/C26H33F3N4O3/c1-16-9-10-19(17(2)11-16)13-30-14-21(24(36)33-25(3,4)5)32-22(34)15-31-23(35)18-7-6-8-20(12-18)26(27,28)29/h6-12,21,30H,13-15H2,1-5H3,(H,31,35)(H,32,34)(H,33,36)/t21-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219869
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(NCc3ccccc3)cc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1
Show InChI InChI=1S/C33H40F3N5O3/c1-21-11-12-24(22(2)13-21)18-37-19-28(31(44)41-32(3,4)5)40-29(42)20-39-30(43)25-14-26(33(34,35)36)16-27(15-25)38-17-23-9-7-6-8-10-23/h6-16,28,37-38H,17-20H2,1-5H3,(H,39,43)(H,40,42)(H,41,44)/t28-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219836
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(ethylamin...)
Show SMILES CCNC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H29F3N4O3/c1-4-29-23(34)20(13-28-12-18-9-8-15(2)10-16(18)3)31-21(32)14-30-22(33)17-6-5-7-19(11-17)24(25,26)27/h5-11,20,28H,4,12-14H2,1-3H3,(H,29,34)(H,30,33)(H,31,32)/t20-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219849
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(methoxy(m...)
Show SMILES CON(C)C(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H29F3N4O4/c1-15-8-9-18(16(2)10-15)12-28-13-20(23(34)31(3)35-4)30-21(32)14-29-22(33)17-6-5-7-19(11-17)24(25,26)27/h5-11,20,28H,12-14H2,1-4H3,(H,29,33)(H,30,32)/t20-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219844
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-oxo-1-(ter...)
Show SMILES CCC(C)(C)NC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H35F3N4O3/c1-6-26(4,5)34-25(37)22(15-31-14-20-11-10-17(2)12-18(20)3)33-23(35)16-32-24(36)19-8-7-9-21(13-19)27(28,29)30/h7-13,22,31H,6,14-16H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t22-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219904
PNG
((S)-N-(2-(3-(3-amino-4-methylbenzylamino)-1-(tert-...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)cc1N
Show InChI InChI=1S/C25H32F3N5O3/c1-15-8-9-16(10-19(15)29)12-30-13-20(23(36)33-24(2,3)4)32-21(34)14-31-22(35)17-6-5-7-18(11-17)25(26,27)28/h5-11,20,30H,12-14,29H2,1-4H3,(H,31,35)(H,32,34)(H,33,36)/t20-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219859
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(isobutyla...)
Show SMILES CC(C)CNC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H33F3N4O3/c1-16(2)12-31-25(36)22(14-30-13-20-9-8-17(3)10-18(20)4)33-23(34)15-32-24(35)19-6-5-7-21(11-19)26(27,28)29/h5-11,16,22,30H,12-15H2,1-4H3,(H,31,36)(H,32,35)(H,33,34)/t22-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219877
PNG
(CHEMBL246221 | N-(2-((2S,3R)-3-(2,4-dimethylbenzyl...)
Show SMILES CCNC(=O)[C@@H](NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H](C)NCc1ccc(C)cc1C
Show InChI InChI=1S/C25H31F3N4O3/c1-5-29-24(35)22(17(4)30-13-19-10-9-15(2)11-16(19)3)32-21(33)14-31-23(34)18-7-6-8-20(12-18)25(26,27)28/h6-12,17,22,30H,5,13-14H2,1-4H3,(H,29,35)(H,31,34)(H,32,33)/t17-,22+/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219864
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES CC(C)CNc1cc(cc(c1)C(F)(F)F)C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C
Show InChI InChI=1S/C30H42F3N5O3/c1-18(2)14-35-24-12-22(11-23(13-24)30(31,32)33)27(40)36-17-26(39)37-25(28(41)38-29(5,6)7)16-34-15-21-9-8-19(3)10-20(21)4/h8-13,18,25,34-35H,14-17H2,1-7H3,(H,36,40)(H,37,39)(H,38,41)/t25-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219848
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(SC(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1
Show InChI InChI=1S/C26H33F3N4O3S/c1-16-9-10-19(17(2)11-16)13-30-14-21(24(36)33-25(3,4)5)32-22(34)15-31-23(35)18-7-6-8-20(12-18)37-26(27,28)29/h6-12,21,30H,13-15H2,1-5H3,(H,31,35)(H,32,34)(H,33,36)/t21-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219842
PNG
((S)-N-(2-(3-(4-bromo-2-methylbenzylamino)-1-(tert-...)
Show SMILES Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(c1N)C(F)(F)F)C(=O)NC(C)(C)C
Show InChI InChI=1S/C25H31BrF3N5O3/c1-14-10-16(26)9-8-15(14)11-31-12-19(23(37)34-24(2,3)4)33-20(35)13-32-22(36)17-6-5-7-18(21(17)30)25(27,28)29/h5-10,19,31H,11-13,30H2,1-4H3,(H,32,36)(H,33,35)(H,34,37)/t19-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMCs assessed as inhibition of MCP1-induced chemotaxis


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219884
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(cyclohexy...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC2CCCCC2)c(C)c1
Show InChI InChI=1S/C28H35F3N4O3/c1-18-11-12-21(19(2)13-18)15-32-16-24(27(38)34-23-9-4-3-5-10-23)35-25(36)17-33-26(37)20-7-6-8-22(14-20)28(29,30)31/h6-8,11-14,23-24,32H,3-5,9-10,15-17H2,1-2H3,(H,33,37)(H,34,38)(H,35,36)/t24-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair
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