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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50219837   
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))
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))
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))
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 3


(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>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Eotaxin from human CCR3 expressed in CHO cells


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