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PubMed code 18215519

Compile data set for download or QSAR
Found 4 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))
BDBM50374521
PNG
(CHEMBL272369)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)N1CC[C@@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |c:13|
Show InChI InChI=1S/C31H36F4N2O/c1-20(2)30(28(38)36-18-22-14-24(31(33,34)35)16-25(32)15-22)11-9-26(17-30)37-13-12-29(21(3)19-37)10-8-23-6-4-5-7-27(23)29/h4-8,10,14-16,20-21,26H,9,11-13,17-19H2,1-3H3,(H,36,38)/t21-,26+,29-,30-/m0/s1
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PubMed
n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in human monocytes


Bioorg Med Chem Lett 18: 1374-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.016
BindingDB Entry DOI: 10.7270/Q2R2127G
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50374523
PNG
(CHEMBL402532)
Show SMILES C[C@H]1CN(CC[C@@]11C=Cc2ccccc12)[C@@H]1CC[C@@]2(CCO[C@H]2OCc2cc(F)cc(c2)C(F)(F)F)C1 |c:8|
Show InChI InChI=1S/C30H33F4NO2/c1-20-18-35(12-10-29(20)9-6-22-4-2-3-5-26(22)29)25-7-8-28(17-25)11-13-36-27(28)37-19-21-14-23(30(32,33)34)16-24(31)15-21/h2-6,9,14-16,20,25,27H,7-8,10-13,17-19H2,1H3/t20-,25+,27-,28+,29-/m0/s1
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PubMed
n/an/a 2.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 1374-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.016
BindingDB Entry DOI: 10.7270/Q2R2127G
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50374523
PNG
(CHEMBL402532)
Show SMILES C[C@H]1CN(CC[C@@]11C=Cc2ccccc12)[C@@H]1CC[C@@]2(CCO[C@H]2OCc2cc(F)cc(c2)C(F)(F)F)C1 |c:8|
Show InChI InChI=1S/C30H33F4NO2/c1-20-18-35(12-10-29(20)9-6-22-4-2-3-5-26(22)29)25-7-8-28(17-25)11-13-36-27(28)37-19-21-14-23(30(32,33)34)16-24(31)15-21/h2-6,9,14-16,20,25,27H,7-8,10-13,17-19H2,1H3/t20-,25+,27-,28+,29-/m0/s1
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PubMed
n/an/a 4.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in human monocytes


Bioorg Med Chem Lett 18: 1374-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.016
BindingDB Entry DOI: 10.7270/Q2R2127G
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50374522
PNG
(CHEMBL401890)
Show SMILES C[C@H]1CN(CC[C@@]11C=Cc2ccccc12)[C@@H]1CC[C@@]2(CCO[C@@H]2OCc2cc(F)cc(c2)C(F)(F)F)C1 |c:8|
Show InChI InChI=1S/C30H33F4NO2/c1-20-18-35(12-10-29(20)9-6-22-4-2-3-5-26(22)29)25-7-8-28(17-25)11-13-36-27(28)37-19-21-14-23(30(32,33)34)16-24(31)15-21/h2-6,9,14-16,20,25,27H,7-8,10-13,17-19H2,1H3/t20-,25+,27+,28+,29-/m0/s1
PDB

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Article
PubMed
n/an/a 115n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in human monocytes


Bioorg Med Chem Lett 18: 1374-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.016
BindingDB Entry DOI: 10.7270/Q2R2127G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%