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Compile Data Set for Download or QSAR

Found 13 hits of ki for UniProtKB: P51683   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-C chemokine receptor type 2


(Mus musculus)
BDBM50416294
PNG
(CHEMBL1171760)
Show SMILES OC(=O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H13Cl2NO5S/c20-12-5-8-14(9-6-12)28(25,26)22-16-11-13(21)7-10-18(16)27-17-4-2-1-3-15(17)19(23)24/h1-11,22H,(H,23,24)
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR2


Bioorg Med Chem Lett 20: 3961-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.142
BindingDB Entry DOI: 10.7270/Q2B56KZ9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)
BDBM50416298
PNG
(CHEMBL1169653)
Show SMILES OC(=O)c1ccccc1Oc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H13ClFNO5S/c20-12-5-8-14(9-6-12)28(25,26)22-16-11-13(21)7-10-18(16)27-17-4-2-1-3-15(17)19(23)24/h1-11,22H,(H,23,24)
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR2


Bioorg Med Chem Lett 20: 3961-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.142
BindingDB Entry DOI: 10.7270/Q2B56KZ9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)
BDBM50416300
PNG
(CHEMBL1171006)
Show SMILES OC(=O)c1ccccc1Oc1c(F)cc(cc1NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C20H12ClF4NO5S/c21-12-5-7-13(8-6-12)32(29,30)26-16-10-11(20(23,24)25)9-15(22)18(16)31-17-4-2-1-3-14(17)19(27)28/h1-10,26H,(H,27,28)
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR2


Bioorg Med Chem Lett 20: 3961-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.142
BindingDB Entry DOI: 10.7270/Q2B56KZ9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)
BDBM50416293
PNG
(CHEMBL1171938)
Show SMILES OC(=O)c1ccccc1Oc1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H13Cl2NO5S/c20-12-8-10-13(11-9-12)28(25,26)22-16-6-3-5-15(21)18(16)27-17-7-2-1-4-14(17)19(23)24/h1-11,22H,(H,23,24)
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501n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR2


Bioorg Med Chem Lett 20: 3961-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.142
BindingDB Entry DOI: 10.7270/Q2B56KZ9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)
BDBM50416292
PNG
(CHEMBL1171207)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Oc2ccccc2C(O)=O)c1
Show InChI InChI=1S/C20H16ClNO5S/c1-13-6-11-17(22-28(25,26)15-9-7-14(21)8-10-15)19(12-13)27-18-5-3-2-4-16(18)20(23)24/h2-12,22H,1H3,(H,23,24)
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631n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR2


Bioorg Med Chem Lett 20: 3961-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.142
BindingDB Entry DOI: 10.7270/Q2B56KZ9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)
BDBM50416295
PNG
(CHEMBL1169652)
Show SMILES OC(=O)c1ccccc1Oc1ccc(cc1NS(=O)(=O)c1ccc(Cl)cc1)C#N
Show InChI InChI=1S/C20H13ClN2O5S/c21-14-6-8-15(9-7-14)29(26,27)23-17-11-13(12-22)5-10-19(17)28-18-4-2-1-3-16(18)20(24)25/h1-11,23H,(H,24,25)
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1.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR2


Bioorg Med Chem Lett 20: 3961-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.142
BindingDB Entry DOI: 10.7270/Q2B56KZ9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)
BDBM50416303
PNG
(CHEMBL1170391)
Show SMILES OC(=O)c1c(F)cccc1Oc1ccc(cc1NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C20H12ClF4NO5S/c21-12-5-7-13(8-6-12)32(29,30)26-15-10-11(20(23,24)25)4-9-16(15)31-17-3-1-2-14(22)18(17)19(27)28/h1-10,26H,(H,27,28)
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1.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR2


Bioorg Med Chem Lett 20: 3961-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.142
BindingDB Entry DOI: 10.7270/Q2B56KZ9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)
BDBM50416302
PNG
(CHEMBL1171586)
Show SMILES OC(=O)c1ccccc1Oc1ccc(cc1NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C20H13ClF3NO5S/c21-13-6-8-14(9-7-13)31(28,29)25-16-11-12(20(22,23)24)5-10-18(16)30-17-4-2-1-3-15(17)19(26)27/h1-11,25H,(H,26,27)
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1.58E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR2


Bioorg Med Chem Lett 20: 3961-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.142
BindingDB Entry DOI: 10.7270/Q2B56KZ9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)
BDBM50401549
PNG
(CHEMBL2207081)
Show SMILES Clc1ccc(Cn2ccnn2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C15H11Cl3N4O2S/c16-11-2-1-10(9-22-6-5-19-21-22)15(7-11)20-25(23,24)12-3-4-13(17)14(18)8-12/h1-8,20H,9H2
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>2.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to murine CCR2


Bioorg Med Chem Lett 22: 7252-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.020
BindingDB Entry DOI: 10.7270/Q21J9BZJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)
BDBM50416301
PNG
(CHEMBL1171758)
Show SMILES OC(=O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H14ClNO5S/c20-13-9-11-14(12-10-13)27(24,25)21-16-6-2-4-8-18(16)26-17-7-3-1-5-15(17)19(22)23/h1-12,21H,(H,22,23)
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2.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR2


Bioorg Med Chem Lett 20: 3961-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.142
BindingDB Entry DOI: 10.7270/Q2B56KZ9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)
BDBM50416297
PNG
(CHEMBL1171761)
Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1Oc1ccccc1C(O)=O
Show InChI InChI=1S/C20H16ClNO5S/c1-13-5-4-7-17(22-28(25,26)15-11-9-14(21)10-12-15)19(13)27-18-8-3-2-6-16(18)20(23)24/h2-12,22H,1H3,(H,23,24)
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>3.16E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR2


Bioorg Med Chem Lett 20: 3961-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.142
BindingDB Entry DOI: 10.7270/Q2B56KZ9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)
BDBM50416296
PNG
(CHEMBL1171208)
Show SMILES OC(=O)c1ccccc1Oc1cccc(F)c1NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H13ClFNO5S/c20-12-8-10-13(11-9-12)28(25,26)22-18-15(21)5-3-7-17(18)27-16-6-2-1-4-14(16)19(23)24/h1-11,22H,(H,23,24)
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>3.16E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR2


Bioorg Med Chem Lett 20: 3961-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.142
BindingDB Entry DOI: 10.7270/Q2B56KZ9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)
BDBM50400695
PNG
(CHEMBL2204263)
Show SMILES O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cncs1 |r,wU:4.7,wD:1.0,(3.07,-42.27,;3.85,-40.94,;4.62,-42.28,;6.16,-42.28,;6.93,-40.95,;6.16,-39.62,;4.62,-39.62,;8.47,-40.94,;9.57,-42.04,;10.65,-40.95,;9.56,-39.86,;12.19,-40.95,;12.96,-39.61,;12.19,-38.28,;14.5,-39.61,;15.27,-40.94,;16.81,-40.94,;17.58,-42.27,;17.58,-39.61,;19.12,-39.61,;19.89,-38.28,;19.12,-36.94,;17.57,-36.95,;16.81,-38.29,;16.79,-35.62,;17.56,-34.28,;15.25,-35.63,;16.01,-34.28,;3.07,-39.6,;3.69,-38.18,;2.54,-37.14,;1.2,-37.92,;1.53,-39.44,)|
Show InChI InChI=1S/C22H25F3N4O3S/c23-22(24,25)15-3-1-2-14(8-15)20(31)27-10-19(30)28-16-11-29(12-16)17-4-6-21(32,7-5-17)18-9-26-13-33-18/h1-3,8-9,13,16-17,32H,4-7,10-12H2,(H,27,31)(H,28,30)/t17-,21-
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9.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse CCR2


ACS Med Chem Lett 3: 1039-1044 (2012)


Article DOI: 10.1021/ml300260s
BindingDB Entry DOI: 10.7270/Q2JS9RM3
More data for this
Ligand-Target Pair