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PubMed code 22939233

Compile data set for download or QSAR
Found 23 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))		BDBM50391012
PNG
(CHEMBL2088212)
Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(c3[nH]2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccc(Br)cc2)C1 |r|
Show InChI InChI=1S/C27H32BrF3N4O3S/c1-16(2)35(3)19-9-12-22(17(13-19)15-39(37,38)20-10-7-18(28)8-11-20)33-25(36)14-24-32-23-6-4-5-21(26(23)34-24)27(29,30)31/h4-8,10-11,16-17,19,22H,9,12-15H2,1-3H3,(H,32,34)(H,33,36)/t17-,19+,22-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to CCR2

Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50391023
PNG
(CHEMBL2088388)
Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CCC(C1=O)c1nc2cccc(c2[nH]1)C(F)(F)F |r|
Show InChI InChI=1S/C29H35F3N4O3S/c1-18(2)35(3)20-12-13-25(19(16-20)17-40(38,39)21-8-5-4-6-9-21)36-15-14-22(28(36)37)27-33-24-11-7-10-23(26(24)34-27)29(30,31)32/h4-11,18-20,22,25H,12-17H2,1-3H3,(H,33,34)/t19-,20+,22?,25-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to CCR2

Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50391015
PNG
(CHEMBL2088380)
Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(c3[nH]2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccc(cc2)C#N)C1 |r|
Show InChI InChI=1S/C28H32F3N5O3S/c1-17(2)36(3)20-9-12-23(19(13-20)16-40(38,39)21-10-7-18(15-32)8-11-21)34-26(37)14-25-33-24-6-4-5-22(27(24)35-25)28(29,30)31/h4-8,10-11,17,19-20,23H,9,12-14,16H2,1-3H3,(H,33,35)(H,34,37)/t19-,20+,23-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to CCR2

Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50391024
PNG
(CHEMBL2088389)
Show SMILES CCN(C(C)C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CCC(C1=O)c1nc2cccc(c2[nH]1)C(F)(F)F |r|
Show InChI InChI=1S/C30H37F3N4O3S/c1-4-36(19(2)3)21-13-14-26(20(17-21)18-41(39,40)22-9-6-5-7-10-22)37-16-15-23(29(37)38)28-34-25-12-8-11-24(27(25)35-28)30(31,32)33/h5-12,19-21,23,26H,4,13-18H2,1-3H3,(H,34,35)/t20-,21+,23?,26-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to CCR2

Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50391013
PNG
(CHEMBL2088378)
Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(c3[nH]2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccc(C)cc2)C1 |r|
Show InChI InChI=1S/C28H35F3N4O3S/c1-17(2)35(4)20-10-13-23(19(14-20)16-39(37,38)21-11-8-18(3)9-12-21)33-26(36)15-25-32-24-7-5-6-22(27(24)34-25)28(29,30)31/h5-9,11-12,17,19-20,23H,10,13-16H2,1-4H3,(H,32,34)(H,33,36)/t19-,20+,23-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human monocytes by chemotaxis assay in presence of 0.5% bovine serum albumin

Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50391014
PNG
(CHEMBL2088379)
Show SMILES CCc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)Cc1nc2cccc(c2[nH]1)C(F)(F)F)N(C)C(C)C |r|
Show InChI InChI=1S/C29H37F3N4O3S/c1-5-19-9-12-22(13-10-19)40(38,39)17-20-15-21(36(4)18(2)3)11-14-24(20)34-27(37)16-26-33-25-8-6-7-23(28(25)35-26)29(30,31)32/h6-10,12-13,18,20-21,24H,5,11,14-17H2,1-4H3,(H,33,35)(H,34,37)/t20-,21+,24-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to CCR2

Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50391013
PNG
(CHEMBL2088378)
Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(c3[nH]2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccc(C)cc2)C1 |r|
Show InChI InChI=1S/C28H35F3N4O3S/c1-17(2)35(4)20-10-13-23(19(14-20)16-39(37,38)21-11-8-18(3)9-12-21)33-26(36)15-25-32-24-7-5-6-22(27(24)34-25)28(29,30)31/h5-9,11-12,17,19-20,23H,10,13-16H2,1-4H3,(H,32,34)(H,33,36)/t19-,20+,23-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to CCR2

Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50391015
PNG
(CHEMBL2088380)
Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(c3[nH]2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccc(cc2)C#N)C1 |r|
Show InChI InChI=1S/C28H32F3N5O3S/c1-17(2)36(3)20-9-12-23(19(13-20)16-40(38,39)21-10-7-18(15-32)8-11-21)34-26(37)14-25-33-24-6-4-5-22(27(24)35-25)28(29,30)31/h4-8,10-11,17,19-20,23H,9,12-14,16H2,1-3H3,(H,33,35)(H,34,37)/t19-,20+,23-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human monocytes by chemotaxis assay in presence of 0.5% bovine serum albumin

Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50391012
PNG
(CHEMBL2088212)
Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(c3[nH]2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccc(Br)cc2)C1 |r|
Show InChI InChI=1S/C27H32BrF3N4O3S/c1-16(2)35(3)19-9-12-22(17(13-19)15-39(37,38)20-10-7-18(28)8-11-20)33-25(36)14-24-32-23-6-4-5-21(26(23)34-24)27(29,30)31/h4-8,10-11,16-17,19,22H,9,12-15H2,1-3H3,(H,32,34)(H,33,36)/t17-,19+,22-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human monocytes by chemotaxis assay in presence of 0.5% bovine serum albumin

Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50391023
PNG
(CHEMBL2088388)
Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CCC(C1=O)c1nc2cccc(c2[nH]1)C(F)(F)F |r|
Show InChI InChI=1S/C29H35F3N4O3S/c1-18(2)35(3)20-12-13-25(19(16-20)17-40(38,39)21-8-5-4-6-9-21)36-15-14-22(28(36)37)27-33-24-11-7-10-23(26(24)34-27)29(30,31)32/h4-11,18-20,22,25H,12-17H2,1-3H3,(H,33,34)/t19-,20+,22?,25-/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human monocytes by chemotaxis assay in presence of 0.5% bovine serum albumin

Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50391011
PNG
(CHEMBL2088211)
Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(c3[nH]2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccccc2)C1 |r|
Show InChI InChI=1S/C27H33F3N4O3S/c1-17(2)34(3)19-12-13-22(18(14-19)16-38(36,37)20-8-5-4-6-9-20)32-25(35)15-24-31-23-11-7-10-21(26(23)33-24)27(28,29)30/h4-11,17-19,22H,12-16H2,1-3H3,(H,31,33)(H,32,35)/t18-,19+,22-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to CCR2

Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50391014
PNG
(CHEMBL2088379)
Show SMILES CCc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)Cc1nc2cccc(c2[nH]1)C(F)(F)F)N(C)C(C)C |r|
Show InChI InChI=1S/C29H37F3N4O3S/c1-5-19-9-12-22(13-10-19)40(38,39)17-20-15-21(36(4)18(2)3)11-14-24(20)34-27(37)16-26-33-25-8-6-7-23(28(25)35-26)29(30,31)32/h6-10,12-13,18,20-21,24H,5,11,14-17H2,1-4H3,(H,33,35)(H,34,37)/t20-,21+,24-/m0/s1
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n/an/a 8.30n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human monocytes by chemotaxis assay in presence of 0.5% bovine serum albumin

Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50391009
PNG
(CHEMBL2088210)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)Cc1nc2cccc(c2[nH]1)C(F)(F)F)N(C)C(C)C |r|
Show InChI InChI=1S/C28H35F3N4O3S2/c1-17(2)35(3)19-8-13-23(18(14-19)16-40(37,38)21-11-9-20(39-4)10-12-21)33-26(36)15-25-32-24-7-5-6-22(27(24)34-25)28(29,30)31/h5-7,9-12,17-19,23H,8,13-16H2,1-4H3,(H,32,34)(H,33,36)/t18-,19+,23-/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
Binding affinity to CCR2

Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50391024
PNG
(CHEMBL2088389)
Show SMILES CCN(C(C)C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CCC(C1=O)c1nc2cccc(c2[nH]1)C(F)(F)F |r|
Show InChI InChI=1S/C30H37F3N4O3S/c1-4-36(19(2)3)21-13-14-26(20(17-21)18-41(39,40)22-9-6-5-7-10-22)37-16-15-23(29(37)38)28-34-25-12-8-11-24(27(25)35-28)30(31,32)33/h5-12,19-21,23,26H,4,13-18H2,1-3H3,(H,34,35)/t20-,21+,23?,26-/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
Antagonist activity at CCR2 in human monocytes by chemotaxis assay in presence of 0.5% bovine serum albumin

Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50391016
PNG
(CHEMBL2088381)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)Cc1nc2cccc(c2[nH]1)C(F)(F)F)N(C)C(C)C |r|
Show InChI InChI=1S/C30H39F3N4O3S/c1-5-7-20-10-13-23(14-11-20)41(39,40)18-21-16-22(37(4)19(2)3)12-15-25(21)35-28(38)17-27-34-26-9-6-8-24(29(26)36-27)30(31,32)33/h6,8-11,13-14,19,21-22,25H,5,7,12,15-18H2,1-4H3,(H,34,36)(H,35,38)/t21-,22+,25-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to CCR2

Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50391020
PNG
(CHEMBL2088385)
Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(c3[nH]2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccc(Cc3ccccc3)cc2)C1 |r|
Show InChI InChI=1S/C34H39F3N4O3S/c1-22(2)41(3)26-14-17-29(39-32(42)20-31-38-30-11-7-10-28(33(30)40-31)34(35,36)37)25(19-26)21-45(43,44)27-15-12-24(13-16-27)18-23-8-5-4-6-9-23/h4-13,15-16,22,25-26,29H,14,17-21H2,1-3H3,(H,38,40)(H,39,42)/t25-,26+,29-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to CCR2

Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50391011
PNG
(CHEMBL2088211)
Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(c3[nH]2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccccc2)C1 |r|
Show InChI InChI=1S/C27H33F3N4O3S/c1-17(2)34(3)19-12-13-22(18(14-19)16-38(36,37)20-8-5-4-6-9-20)32-25(35)15-24-31-23-11-7-10-21(26(23)33-24)27(28,29)30/h4-11,17-19,22H,12-16H2,1-3H3,(H,31,33)(H,32,35)/t18-,19+,22-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human monocytes by chemotaxis assay in presence of 0.5% bovine serum albumin

Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50391019
PNG
(CHEMBL2088384)
Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(c3[nH]2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccc(cc2)-c2cccs2)C1 |r|
Show InChI InChI=1S/C31H35F3N4O3S2/c1-19(2)38(3)22-11-14-25(36-29(39)17-28-35-26-7-4-6-24(30(26)37-28)31(32,33)34)21(16-22)18-43(40,41)23-12-9-20(10-13-23)27-8-5-15-42-27/h4-10,12-13,15,19,21-22,25H,11,14,16-18H2,1-3H3,(H,35,37)(H,36,39)/t21-,22+,25-/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
Binding affinity to CCR2

Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50391010
PNG
(CHEMBL2088209)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)Cc1nc2ccc(cc2[nH]1)C(F)(F)F)N(C)C(C)C |r|
Show InChI InChI=1S/C28H35F3N4O3S2/c1-17(2)35(3)20-6-12-23(18(13-20)16-40(37,38)22-9-7-21(39-4)8-10-22)34-27(36)15-26-32-24-11-5-19(28(29,30)31)14-25(24)33-26/h5,7-11,14,17-18,20,23H,6,12-13,15-16H2,1-4H3,(H,32,33)(H,34,36)/t18-,20+,23-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to CCR2

Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50391018
PNG
(CHEMBL2088383)
Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(c3[nH]2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccc(cc2)C2CCCC2)C1 |r|
Show InChI InChI=1S/C32H41F3N4O3S/c1-20(2)39(3)24-13-16-27(37-30(40)18-29-36-28-10-6-9-26(31(28)38-29)32(33,34)35)23(17-24)19-43(41,42)25-14-11-22(12-15-25)21-7-4-5-8-21/h6,9-12,14-15,20-21,23-24,27H,4-5,7-8,13,16-19H2,1-3H3,(H,36,38)(H,37,40)/t23-,24+,27-/m0/s1
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n/an/a 102n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to CCR2

Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50391022
PNG
(CHEMBL2088387)
Show SMILES CC(C)CCc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)Cc1nc2cccc(c2[nH]1)C(F)(F)F)N(C)C(C)C |r|
Show InChI InChI=1S/C32H43F3N4O3S/c1-20(2)9-10-22-11-14-25(15-12-22)43(41,42)19-23-17-24(39(5)21(3)4)13-16-27(23)37-30(40)18-29-36-28-8-6-7-26(31(28)38-29)32(33,34)35/h6-8,11-12,14-15,20-21,23-24,27H,9-10,13,16-19H2,1-5H3,(H,36,38)(H,37,40)/t23-,24+,27-/m0/s1
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n/an/a 125n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to CCR2

Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50391021
PNG
(CHEMBL2088386)
Show SMILES CC(C)Cc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)Cc1nc2cccc(c2[nH]1)C(F)(F)F)N(C)C(C)C |r|
Show InChI InChI=1S/C31H41F3N4O3S/c1-19(2)15-21-9-12-24(13-10-21)42(40,41)18-22-16-23(38(5)20(3)4)11-14-26(22)36-29(39)17-28-35-27-8-6-7-25(30(27)37-28)31(32,33)34/h6-10,12-13,19-20,22-23,26H,11,14-18H2,1-5H3,(H,35,37)(H,36,39)/t22-,23+,26-/m0/s1
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n/an/a 132n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to CCR2

Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50391017
PNG
(CHEMBL2088382)
Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(c3[nH]2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccc(cc2)C(C)(C)C)C1 |r|
Show InChI InChI=1S/C31H41F3N4O3S/c1-19(2)38(6)22-12-15-25(20(16-22)18-42(40,41)23-13-10-21(11-14-23)30(3,4)5)36-28(39)17-27-35-26-9-7-8-24(29(26)37-27)31(32,33)34/h7-11,13-14,19-20,22,25H,12,15-18H2,1-6H3,(H,35,37)(H,36,39)/t20-,22+,25-/m0/s1
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n/an/a 137n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to CCR2

Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%