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Compile Data Set for Download or QSAR

Found 37 hits with Last Name = 'qiu' and Initial = 'f'   
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))
BDBM50138221
PNG
(CHEMBL3752627)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1ccc(Cl)c(c1)C(F)(F)F |r,t:3|
Show InChI InChI=1S/C16H16ClF3O2/c1-9-3-5-11(14(21)22)15(2,8-9)10-4-6-13(17)12(7-10)16(18,19)20/h4-7,9H,3,8H2,1-2H3,(H,21,22)/t9-,15-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138221
PNG
(CHEMBL3752627)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1ccc(Cl)c(c1)C(F)(F)F |r,t:3|
Show InChI InChI=1S/C16H16ClF3O2/c1-9-3-5-11(14(21)22)15(2,8-9)10-4-6-13(17)12(7-10)16(18,19)20/h4-7,9H,3,8H2,1-2H3,(H,21,22)/t9-,15-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138221
PNG
(CHEMBL3752627)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1ccc(Cl)c(c1)C(F)(F)F |r,t:3|
Show InChI InChI=1S/C16H16ClF3O2/c1-9-3-5-11(14(21)22)15(2,8-9)10-4-6-13(17)12(7-10)16(18,19)20/h4-7,9H,3,8H2,1-2H3,(H,21,22)/t9-,15-/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
Antagonist activity at CCR2 in human PBMC assessed as inhibition of MCP1-induced inhibition of calcium flux


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138221
PNG
(CHEMBL3752627)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1ccc(Cl)c(c1)C(F)(F)F |r,t:3|
Show InChI InChI=1S/C16H16ClF3O2/c1-9-3-5-11(14(21)22)15(2,8-9)10-4-6-13(17)12(7-10)16(18,19)20/h4-7,9H,3,8H2,1-2H3,(H,21,22)/t9-,15-/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
Antagonist activity at CCR2 in human PBMC assessed as inhibition of MCP1-induced inhibition of chemotaxis


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138224
PNG
(CHEMBL3753813)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1ccc(Cl)c(Cl)c1 |r,t:3|
Show InChI InChI=1S/C15H16Cl2O2/c1-9-3-5-11(14(18)19)15(2,8-9)10-4-6-12(16)13(17)7-10/h4-7,9H,3,8H2,1-2H3,(H,18,19)/t9-,15-/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 [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138224
PNG
(CHEMBL3753813)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1ccc(Cl)c(Cl)c1 |r,t:3|
Show InChI InChI=1S/C15H16Cl2O2/c1-9-3-5-11(14(18)19)15(2,8-9)10-4-6-12(16)13(17)7-10/h4-7,9H,3,8H2,1-2H3,(H,18,19)/t9-,15-/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 [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138242
PNG
(CHEMBL3751958)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1ccc(Cl)c(C)c1 |r,t:3|
Show InChI InChI=1S/C16H19ClO2/c1-10-4-6-13(15(18)19)16(3,9-10)12-5-7-14(17)11(2)8-12/h5-8,10H,4,9H2,1-3H3,(H,18,19)/t10-,16-/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
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138243
PNG
(CHEMBL3753826)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1cc(Cl)cc(Cl)c1 |r,t:3|
Show InChI InChI=1S/C15H16Cl2O2/c1-9-3-4-13(14(18)19)15(2,8-9)10-5-11(16)7-12(17)6-10/h4-7,9H,3,8H2,1-2H3,(H,18,19)/t9-,15-/m0/s1
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n/an/a 114n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138227
PNG
(CHEMBL3752690)
Show SMILES C[C@H]1CC=C(C(=O)NS(=O)(=O)c2ccccc2)[C@@](C)(C1)c1ccc(Cl)c(Cl)c1 |r,t:3|
Show InChI InChI=1S/C21H21Cl2NO3S/c1-14-8-10-17(20(25)24-28(26,27)16-6-4-3-5-7-16)21(2,13-14)15-9-11-18(22)19(23)12-15/h3-7,9-12,14H,8,13H2,1-2H3,(H,24,25)/t14-,21-/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 [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138226
PNG
(CHEMBL3753161)
Show SMILES C[C@]1(C[C@@H](CO)CC=C1C(O)=O)c1ccc(Cl)c(c1)C(F)(F)F |r,c:7|
Show InChI InChI=1S/C16H16ClF3O3/c1-15(7-9(8-21)2-4-11(15)14(22)23)10-3-5-13(17)12(6-10)16(18,19)20/h3-6,9,21H,2,7-8H2,1H3,(H,22,23)/t9-,15-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138241
PNG
(CHEMBL3754764)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1ccc(C)c2ccccc12 |r,t:3|
Show InChI InChI=1S/C20H22O2/c1-13-8-10-18(19(21)22)20(3,12-13)17-11-9-14(2)15-6-4-5-7-16(15)17/h4-7,9-11,13H,8,12H2,1-3H3,(H,21,22)/t13-,20-/m0/s1
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n/an/a 249n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138253
PNG
(CHEMBL3754334)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1cccc(c1)-c1ccccc1 |r,t:3|
Show InChI InChI=1S/C21H22O2/c1-15-11-12-19(20(22)23)21(2,14-15)18-10-6-9-17(13-18)16-7-4-3-5-8-16/h3-10,12-13,15H,11,14H2,1-2H3,(H,22,23)/t15-,21-/m0/s1
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n/an/a 254n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138254
PNG
(CHEMBL3752224)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1cccc(c1)C(F)(F)F |r,t:3|
Show InChI InChI=1S/C16H17F3O2/c1-10-6-7-13(14(20)21)15(2,9-10)11-4-3-5-12(8-11)16(17,18)19/h3-5,7-8,10H,6,9H2,1-2H3,(H,20,21)/t10-,15-/m0/s1
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n/an/a 284n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138247
PNG
(CHEMBL3753178)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1cc(C)cc(C)c1 |r,t:3|
Show InChI InChI=1S/C17H22O2/c1-11-5-6-15(16(18)19)17(4,10-11)14-8-12(2)7-13(3)9-14/h6-9,11H,5,10H2,1-4H3,(H,18,19)/t11-,17-/m0/s1
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n/an/a 301n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138248
PNG
(CHEMBL3752640)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1ccc(C)c(C)c1 |r,t:3|
Show InChI InChI=1S/C17H22O2/c1-11-5-8-15(16(18)19)17(4,10-11)14-7-6-12(2)13(3)9-14/h6-9,11H,5,10H2,1-4H3,(H,18,19)/t11-,17-/m0/s1
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n/an/a 328n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138258
PNG
(CHEMBL3754037)
Show SMILES C[C@]1(CCCC=C1C(O)=O)c1ccc(Cl)c(Cl)c1 |r,c:5|
Show InChI InChI=1S/C14H14Cl2O2/c1-14(7-3-2-4-10(14)13(17)18)9-5-6-11(15)12(16)8-9/h4-6,8H,2-3,7H2,1H3,(H,17,18)/t14-/m0/s1
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n/an/a 438n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138249
PNG
(CHEMBL3754155)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1cc(C)ccc1C |r,t:3|
Show InChI InChI=1S/C17H22O2/c1-11-5-7-13(3)15(9-11)17(4)10-12(2)6-8-14(17)16(18)19/h5,7-9,12H,6,10H2,1-4H3,(H,18,19)/t12-,17+/m0/s1
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n/an/a 550n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138277
PNG
(CHEMBL3754119)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1ccc(Cl)cc1 |r,t:3|
Show InChI InChI=1S/C15H17ClO2/c1-10-3-8-13(14(17)18)15(2,9-10)11-4-6-12(16)7-5-11/h4-8,10H,3,9H2,1-2H3,(H,17,18)/t10-,15-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138246
PNG
(CHEMBL3751959)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,t:3|
Show InChI InChI=1S/C17H16F6O2/c1-9-3-4-13(14(24)25)15(2,8-9)10-5-11(16(18,19)20)7-12(6-10)17(21,22)23/h4-7,9H,3,8H2,1-2H3,(H,24,25)/t9-,15-/m0/s1
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n/an/a 744n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138255
PNG
(CHEMBL3753719)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1cccc(C)c1 |r,t:3|
Show InChI InChI=1S/C16H20O2/c1-11-5-4-6-13(9-11)16(3)10-12(2)7-8-14(16)15(17)18/h4-6,8-9,12H,7,10H2,1-3H3,(H,17,18)/t12-,16-/m0/s1
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n/an/a 928n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138260
PNG
(CHEMBL3753478)
Show SMILES C[C@]1(CCCC=C1C(O)=O)c1cccc(c1)C(F)(F)F |r,c:5|
Show InChI InChI=1S/C15H15F3O2/c1-14(8-3-2-7-12(14)13(19)20)10-5-4-6-11(9-10)15(16,17)18/h4-7,9H,2-3,8H2,1H3,(H,19,20)/t14-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138252
PNG
(CHEMBL3753563)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C15H17FO2/c1-10-3-8-13(14(17)18)15(2,9-10)11-4-6-12(16)7-5-11/h4-8,10H,3,9H2,1-2H3,(H,17,18)/t10-,15-/m0/s1
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n/an/a 1.69E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138251
PNG
(CHEMBL3754349)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1ccc(C)cc1 |r,t:3|
Show InChI InChI=1S/C16H20O2/c1-11-4-7-13(8-5-11)16(3)10-12(2)6-9-14(16)15(17)18/h4-5,7-9,12H,6,10H2,1-3H3,(H,17,18)/t12-,16-/m0/s1
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n/an/a 2.64E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138275
PNG
(CHEMBL3753509)
Show SMILES C[C@]1(CCCC=C1C(O)=O)c1cccc(Cl)c1 |r,c:5|
Show InChI InChI=1S/C14H15ClO2/c1-14(10-5-4-6-11(15)9-10)8-3-2-7-12(14)13(16)17/h4-7,9H,2-3,8H2,1H3,(H,16,17)/t14-/m0/s1
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n/an/a 2.97E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138276
PNG
(CHEMBL3754549)
Show SMILES C[C@]1(CCCC=C1C(O)=O)c1ccc(Cl)cc1 |r,c:5|
Show InChI InChI=1S/C14H15ClO2/c1-14(10-5-7-11(15)8-6-10)9-3-2-4-12(14)13(16)17/h4-8H,2-3,9H2,1H3,(H,16,17)/t14-/m0/s1
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n/an/a 3.42E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138245
PNG
(CHEMBL3751926)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1ccc(F)c(F)c1 |r,t:3|
Show InChI InChI=1S/C15H16F2O2/c1-9-3-5-11(14(18)19)15(2,8-9)10-4-6-12(16)13(17)7-10/h4-7,9H,3,8H2,1-2H3,(H,18,19)/t9-,15-/m0/s1
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n/an/a 3.48E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138250
PNG
(CHEMBL3752652)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1cccc(C)c1C |r,t:3|
Show InChI InChI=1S/C17H22O2/c1-11-8-9-15(16(18)19)17(4,10-11)14-7-5-6-12(2)13(14)3/h5-7,9,11H,8,10H2,1-4H3,(H,18,19)/t11-,17-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138256
PNG
(CHEMBL3753474)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1cccc(F)c1 |r,t:3|
Show InChI InChI=1S/C15H17FO2/c1-10-6-7-13(14(17)18)15(2,9-10)11-4-3-5-12(16)8-11/h3-5,7-8,10H,6,9H2,1-2H3,(H,17,18)/t10-,15-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138222
PNG
(CHEMBL3753491)
Show SMILES C[C@@H]1CC=C(C(O)=O)[C@](C)(C1)c1ccc(Cl)c(c1)C(F)(F)F |r,t:3|
Show InChI InChI=1S/C16H16ClF3O2/c1-9-3-5-11(14(21)22)15(2,8-9)10-4-6-13(17)12(7-10)16(18,19)20/h4-7,9H,3,8H2,1-2H3,(H,21,22)/t9-,15-/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138229
PNG
(CHEMBL3752915)
Show SMILES C[C@H]1CC=C(C(=O)NS(C)(=O)=O)[C@@](C)(C1)c1ccc(Cl)c(Cl)c1 |r,t:3|
Show InChI InChI=1S/C16H19Cl2NO3S/c1-10-4-6-12(15(20)19-23(3,21)22)16(2,9-10)11-5-7-13(17)14(18)8-11/h5-8,10H,4,9H2,1-3H3,(H,19,20)/t10-,16-/m0/s1
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n/an/a 5.41E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138223
PNG
(CHEMBL3753526)
Show SMILES C[C@@H]1CC=C(C(O)=O)[C@](C)(C1)c1ccc(Cl)c(Cl)c1 |r,t:3|
Show InChI InChI=1S/C15H16Cl2O2/c1-9-3-5-11(14(18)19)15(2,8-9)10-4-6-12(16)13(17)7-10/h4-7,9H,3,8H2,1-2H3,(H,18,19)/t9-,15-/m1/s1
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n/an/a 5.78E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138225
PNG
(CHEMBL3753005)
Show SMILES CC(C)(C)OC[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1ccc(Cl)c(c1)C(F)(F)F |r,t:8|
Show InChI InChI=1S/C20H24ClF3O3/c1-18(2,3)27-11-12-5-7-14(17(25)26)19(4,10-12)13-6-8-16(21)15(9-13)20(22,23)24/h6-9,12H,5,10-11H2,1-4H3,(H,25,26)/t12-,19-/m0/s1
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n/an/a 6.15E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138228
PNG
(CHEMBL3753428)
Show SMILES C[C@H]1CC=C(C(=O)NS(=O)(=O)C(F)(F)F)[C@@](C)(C1)c1ccc(Cl)c(Cl)c1 |r,t:3|
Show InChI InChI=1S/C16H16Cl2F3NO3S/c1-9-3-5-11(14(23)22-26(24,25)16(19,20)21)15(2,8-9)10-4-6-12(17)13(18)7-10/h4-7,9H,3,8H2,1-2H3,(H,22,23)/t9-,15-/m0/s1
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n/an/a 6.61E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138259
PNG
(CHEMBL3753683)
Show SMILES Cc1ccc(cc1C)[C@]1(C)CCCC=C1C(O)=O |r,c:14|
Show InChI InChI=1S/C16H20O2/c1-11-7-8-13(10-12(11)2)16(3)9-5-4-6-14(16)15(17)18/h6-8,10H,4-5,9H2,1-3H3,(H,17,18)/t16-/m0/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138257
PNG
(CHEMBL3752110)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1ccccc1 |r,t:3|
Show InChI InChI=1S/C15H18O2/c1-11-8-9-13(14(16)17)15(2,10-11)12-6-4-3-5-7-12/h3-7,9,11H,8,10H2,1-2H3,(H,16,17)/t11-,15-/m0/s1
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n/an/a 9.74E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138274
PNG
(CHEMBL3752614)
Show SMILES COc1ccccc1[C@]1(C)CCCC=C1C(O)=O |r,c:14|
Show InChI InChI=1S/C15H18O3/c1-15(10-6-5-8-12(15)14(16)17)11-7-3-4-9-13(11)18-2/h3-4,7-9H,5-6,10H2,1-2H3,(H,16,17)/t15-/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]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50138244
PNG
(CHEMBL3752398)
Show SMILES C[C@H]1CC=C(C(O)=O)[C@@](C)(C1)c1ccc(F)c(C)c1 |r,t:3|
Show InChI InChI=1S/C16H19FO2/c1-10-4-6-13(15(18)19)16(3,9-10)12-5-7-14(17)11(2)8-12/h5-8,10H,4,9H2,1-3H3,(H,18,19)/t10-,16-/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]MCP-1 from CCR2 in human PBMC by radioligand displacement assay


Bioorg Med Chem Lett 26: 662-6 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.051
BindingDB Entry DOI: 10.7270/Q2X068VS
More data for this
Ligand-Target Pair