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Compile Data Set for Download or QSAR

Found 2591 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' AND taxid = 9606   
Target
(Institution)
LigandTarget
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))
BDBM50077906
PNG
(CHEMBL3305901)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
Show InChI InChI=1S/C24H34F3N3O3/c1-15(2)23(7-4-18(11-23)29-20-6-9-33-14-21(20)32-3)22(31)30-8-5-19-16(13-30)10-17(12-28-19)24(25,26)27/h10,12,15,18,20-21,29H,4-9,11,13-14H2,1-3H3/t18-,20+,21-,23+/m1/s1
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0.550n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50428327
PNG
(CHEMBL2338392)
Show SMILES CO[C@@H]1COCC[C@@H]1NC1CCN(CC1)C(=O)c1nc(CF)nc(Nc2ccc(Cl)c(Cl)c2)c1C
Show InChI InChI=1S/C24H30Cl2FN5O3/c1-14-22(30-21(12-27)31-23(14)29-16-3-4-17(25)18(26)11-16)24(33)32-8-5-15(6-9-32)28-19-7-10-35-13-20(19)34-2/h3-4,11,15,19-20,28H,5-10,12-13H2,1-2H3,(H,29,30,31)/t19-,20+/m0/s1
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0.600n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]MCP1 from CCR2 in human THP1 cell membranes after 8 hrs by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50428326
PNG
(CHEMBL2338393)
Show SMILES Cc1cc(no1)-c1nc(NC[C@H]2CCC[C@H](O2)c2ccc(cc2)C(F)(F)F)c(C)c(n1)C(=O)N1CCC(CC1)N[C@@H]1CCOC[C@@H]1F
Show InChI InChI=1S/C33H40F4N6O4/c1-19-16-27(42-47-19)31-40-29(32(44)43-13-10-23(11-14-43)39-26-12-15-45-18-25(26)34)20(2)30(41-31)38-17-24-4-3-5-28(46-24)21-6-8-22(9-7-21)33(35,36)37/h6-9,16,23-26,28,39H,3-5,10-15,17-18H2,1-2H3,(H,38,40,41)/t24-,25+,26-,28+/m1/s1
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]MCP1 from CCR2 in human THP1 cell membranes after 8 hrs by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50428328
PNG
(CHEMBL2338391)
Show SMILES Cc1c(NC[C@H]2CCC[C@H](O2)c2ccc(cc2)C(F)(F)F)nc(nc1C(=O)N1CCC(CC1)N[C@H]1CCOC[C@H]1F)C1CCOCC1
Show InChI InChI=1S/C34H45F4N5O4/c1-21-30(33(44)43-14-9-25(10-15-43)40-28-13-18-46-20-27(28)35)41-32(23-11-16-45-17-12-23)42-31(21)39-19-26-3-2-4-29(47-26)22-5-7-24(8-6-22)34(36,37)38/h5-8,23,25-29,40H,2-4,9-20H2,1H3,(H,39,41,42)/t26-,27-,28+,29+/m1/s1
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]MCP1 from CCR2 in human THP1 cell membranes after 8 hrs by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077924
PNG
(CHEMBL3417124)
Show SMILES COc1cc2CCC(N[C@@H]3CC[C@](C3)(C(C)C)C(=O)N3CCc4ccc(cc4C3)C(F)(F)F)c2cc1OC
Show InChI InChI=1/C30H37F3N2O3/c1-18(2)29(28(36)35-12-10-19-5-7-22(30(31,32)33)13-21(19)17-35)11-9-23(16-29)34-25-8-6-20-14-26(37-3)27(38-4)15-24(20)25/h5,7,13-15,18,23,25,34H,6,8-12,16-17H2,1-4H3/t23-,25?,29+/s2
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1.20n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50416285
PNG
(CHEMBL1171008)
Show SMILES OC(=O)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H11Cl3N2O5S/c19-10-7-15(23-29(26,27)11-5-6-13(20)14(21)8-11)17(22-9-10)28-16-4-2-1-3-12(16)18(24)25/h1-9,23H,(H,24,25)
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1.26n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50416284
PNG
(CHEMBL1170828)
Show SMILES OC(=O)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C18H11Cl3N2O5S/c19-11-7-16(23-29(26,27)13-4-5-14(20)15(21)8-13)17(22-9-11)28-12-3-1-2-10(6-12)18(24)25/h1-9,23H,(H,24,25)
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1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077980
PNG
(CHEMBL3417117)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(Cl)ccc12)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
Show InChI InChI=1/C28H32ClF3N2O/c1-17(2)27(11-9-23(15-27)33-25-8-4-19-14-22(29)6-7-24(19)25)26(35)34-12-10-18-3-5-21(28(30,31)32)13-20(18)16-34/h3,5-7,13-14,17,23,25,33H,4,8-12,15-16H2,1-2H3/t23-,25?,27+/s2
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1.60n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50428329
PNG
(CHEMBL2338390)
Show SMILES CO[C@@H]1COCC[C@@H]1NC1CCN(CC1)C(=O)c1nc(nc(N2CCc3cc(ccc3C2)C(F)(F)F)c1C)C(F)(F)F
Show InChI InChI=1S/C28H33F6N5O3/c1-16-23(25(40)38-10-6-20(7-11-38)35-21-8-12-42-15-22(21)41-2)36-26(28(32,33)34)37-24(16)39-9-5-17-13-19(27(29,30)31)4-3-18(17)14-39/h3-4,13,20-22,35H,5-12,14-15H2,1-2H3/t21-,22+/m0/s1
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]MCP1 from CCR2 in human THP1 cell membranes after 8 hrs by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50359016
PNG
(CHEMBL1924017)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C26H24Cl2F3N3O4S/c27-18-5-10-24(23(15-18)33-39(36,37)20-8-9-22(28)21(16-20)26(29,30)31)38-19-6-3-17(4-7-19)25(35)32-11-14-34-12-1-2-13-34/h3-10,15-16,33H,1-2,11-14H2,(H,32,35)
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077991
PNG
(CHEMBL3417237)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)N[C@H]1C[C@@H](C)c2cc(Br)ccc12)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
Show InChI InChI=1/C29H34BrF3N2O/c1-17(2)28(27(36)35-11-9-19-4-5-21(29(31,32)33)13-20(19)16-35)10-8-23(15-28)34-26-12-18(3)25-14-22(30)6-7-24(25)26/h4-7,13-14,17-18,23,26,34H,8-12,15-16H2,1-3H3/t18-,23-,26+,28+/s2
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2n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50088301
PNG
((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)
Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1
Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1
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2n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie, Westfälische Wilhelms-Universität Münster, Corrensstraße 48, 48149 Münster, Germany.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 expressed in U2OS cells incubated for 150 mins by scintillation spectrometry


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50416308
PNG
(CHEMBL1170827)
Show SMILES OC(=O)c1c(F)cccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H10Cl3FN2O5S/c19-9-6-14(24-30(27,28)10-4-5-11(20)12(21)7-10)17(23-8-9)29-15-3-1-2-13(22)16(15)18(25)26/h1-8,24H,(H,25,26)
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077912
PNG
(CHEMBL3417231)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CC(C)c2cc(Br)ccc12)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
Show InChI InChI=1/C29H34BrF3N2O/c1-17(2)28(27(36)35-11-9-19-4-5-21(29(31,32)33)13-20(19)16-35)10-8-23(15-28)34-26-12-18(3)25-14-22(30)6-7-24(25)26/h4-7,13-14,17-18,23,26,34H,8-12,15-16H2,1-3H3/t18?,23-,26?,28+/s2
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2n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077986
PNG
(CHEMBL3417111)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2ccccc12)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
Show InChI InChI=1/C28H33F3N2O/c1-18(2)27(13-11-23(16-27)32-25-10-8-20-5-3-4-6-24(20)25)26(34)33-14-12-19-7-9-22(28(29,30)31)15-21(19)17-33/h3-7,9,15,18,23,25,32H,8,10-14,16-17H2,1-2H3/t23-,25?,27+/s2
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2.20n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077972
PNG
(CHEMBL3417118)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(Br)ccc12)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
Show InChI InChI=1/C28H32BrF3N2O/c1-17(2)27(11-9-23(15-27)33-25-8-4-19-14-22(29)6-7-24(19)25)26(35)34-12-10-18-3-5-21(28(30,31)32)13-20(18)16-34/h3,5-7,13-14,17,23,25,33H,4,8-12,15-16H2,1-2H3/t23-,25?,27+/s2
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2.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077908
PNG
(CHEMBL3417235)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)N[C@@H]1CCc2cc(Br)ccc12)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
Show InChI InChI=1/C28H32BrF3N2O/c1-17(2)27(11-9-23(15-27)33-25-8-4-19-14-22(29)6-7-24(19)25)26(35)34-12-10-18-3-5-21(28(30,31)32)13-20(18)16-34/h3,5-7,13-14,17,23,25,33H,4,8-12,15-16H2,1-2H3/t23-,25-,27+/s2
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2.40n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50359013
PNG
(CHEMBL1924014)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)cnc1Oc1ccc(cc1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C26H25Cl2F3N4O4S/c27-18-14-23(34-40(37,38)20-8-9-22(28)21(15-20)26(29,30)31)25(33-16-18)39-19-6-4-17(5-7-19)24(36)32-10-13-35-11-2-1-3-12-35/h4-9,14-16,34H,1-3,10-13H2,(H,32,36)
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3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50416304
PNG
(CHEMBL1171786)
Show SMILES OC(=O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H12Cl3NO5S/c20-11-5-8-18(28-17-4-2-1-3-13(17)19(24)25)16(9-11)23-29(26,27)12-6-7-14(21)15(22)10-12/h1-10,23H,(H,24,25)
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3.16n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50416283
PNG
(CHEMBL1170829)
Show SMILES OC(=O)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C18H11Cl3N2O5S/c19-11-7-16(23-29(26,27)13-5-6-14(20)15(21)8-13)17(22-9-11)28-12-3-1-10(2-4-12)18(24)25/h1-9,23H,(H,24,25)
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PubMed
3.16n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077913
PNG
(CHEMBL3417230)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CC(C)c2ccccc12)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
Show InChI InChI=1/C29H35F3N2O/c1-18(2)28(12-10-23(16-28)33-26-14-19(3)24-6-4-5-7-25(24)26)27(35)34-13-11-20-8-9-22(29(30,31)32)15-21(20)17-34/h4-9,15,18-19,23,26,33H,10-14,16-17H2,1-3H3/t19?,23-,26?,28+/s2
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3.40n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50359018
PNG
(CHEMBL1924019)
Show SMILES COc1cc(Oc2ccc(cc2)C(=O)NCCN2CCCC2)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C27H26Cl2F3N3O5S/c1-39-24-16-25(40-18-6-4-17(5-7-18)26(36)33-10-13-35-11-2-3-12-35)23(15-22(24)29)34-41(37,38)19-8-9-21(28)20(14-19)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077966
PNG
(CHEMBL3417119)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(I)ccc12)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
Show InChI InChI=1/C28H32F3IN2O/c1-17(2)27(11-9-23(15-27)33-25-8-4-19-14-22(32)6-7-24(19)25)26(35)34-12-10-18-3-5-21(28(29,30)31)13-20(18)16-34/h3,5-7,13-14,17,23,25,33H,4,8-12,15-16H2,1-2H3/t23-,25?,27+/s2
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4.40n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077911
PNG
(CHEMBL3417232)
Show SMILES COc1cc2C(CCc2cc1Br)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
Show InChI InChI=1/C29H34BrF3N2O2/c1-17(2)28(27(36)35-11-9-18-4-6-21(29(31,32)33)12-20(18)16-35)10-8-22(15-28)34-25-7-5-19-13-24(30)26(37-3)14-23(19)25/h4,6,12-14,17,22,25,34H,5,7-11,15-16H2,1-3H3/t22-,25?,28+/s2
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4.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077990
PNG
(CHEMBL3417238)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)N[C@H]1C[C@H](C)c2cc(Br)ccc12)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
Show InChI InChI=1/C29H34BrF3N2O/c1-17(2)28(27(36)35-11-9-19-4-5-21(29(31,32)33)13-20(19)16-35)10-8-23(15-28)34-26-12-18(3)25-14-22(30)6-7-24(25)26/h4-7,13-14,17-18,23,26,34H,8-12,15-16H2,1-3H3/t18-,23+,26-,28-/s2
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4.60n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077984
PNG
(CHEMBL3417113)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2c1cccc2N)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
Show InChI InChI=1/C28H34F3N3O/c1-17(2)27(12-10-21(15-27)33-25-9-8-22-23(25)4-3-5-24(22)32)26(35)34-13-11-18-6-7-20(28(29,30)31)14-19(18)16-34/h3-7,14,17,21,25,33H,8-13,15-16,32H2,1-2H3/t21-,25?,27+/s2
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4.60n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077981
PNG
(CHEMBL3417116)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(F)ccc12)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
Show InChI InChI=1/C28H32F4N2O/c1-17(2)27(11-9-23(15-27)33-25-8-4-19-14-22(29)6-7-24(19)25)26(35)34-12-10-18-3-5-21(28(30,31)32)13-20(18)16-34/h3,5-7,13-14,17,23,25,33H,4,8-12,15-16H2,1-2H3/t23-,25?,27+/s2
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4.90n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50416289
PNG
(CHEMBL1171787)
Show SMILES OC(=O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C17H11Cl2NO5S2/c18-10-5-6-14(25-13-4-2-1-3-11(13)17(21)22)12(9-10)20-27(23,24)16-8-7-15(19)26-16/h1-9,20H,(H,21,22)
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5.01n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140256
PNG
(US8906911, 65)
Show SMILES CC[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C27H37F3N4O2/c1-2-17-16-36-9-6-23(17)32-20-10-18-4-3-7-26(18,13-20)25(35)34-15-21-12-22(34)14-33(21)24-11-19(5-8-31-24)27(28,29)30/h5,8,11,17-18,20-23,32H,2-4,6-7,9-10,12-16H2,1H3/t17-,18-,20-,21+,22+,23+,26-/m1/s1
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US Patent
6n/a 28n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50359032
PNG
(CHEMBL1924024)
Show SMILES COc1cc(ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C27H26Cl2F3N3O5S/c1-39-25-14-17(26(36)33-10-13-35-11-2-3-12-35)4-8-24(25)40-23-9-5-18(28)15-22(23)34-41(37,38)19-6-7-21(29)20(16-19)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)
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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077925
PNG
(CHEMBL3417123)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2ccc(Cl)cc12)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
Show InChI InChI=1/C28H32ClF3N2O/c1-17(2)27(11-9-23(15-27)33-25-8-5-19-4-7-22(29)14-24(19)25)26(35)34-12-10-18-3-6-21(28(30,31)32)13-20(18)16-34/h3-4,6-7,13-14,17,23,25,33H,5,8-12,15-16H2,1-2H3/t23-,25?,27+/s2
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7.90n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50416290
PNG
(CHEMBL1171614)
Show SMILES OC(=O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H13Cl2NO5S/c20-12-4-3-5-14(10-12)28(25,26)22-16-11-13(21)8-9-18(16)27-17-7-2-1-6-15(17)19(23)24/h1-11,22H,(H,23,24)
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7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140239
PNG
(US8906911, 48)
Show SMILES FC(F)(F)c1ccc(C#N)c(c1)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]12CCC[C@@H]1C[C@H](C2)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C33H37F3N4O/c34-33(35,36)26-9-8-24(19-37)30(16-26)39-20-29-17-28(39)21-40(29)31(41)32-12-4-7-25(32)15-27(18-32)38-13-10-23(11-14-38)22-5-2-1-3-6-22/h1-3,5-6,8-9,16,23,25,27-29H,4,7,10-15,17-18,20-21H2/t25-,27-,28+,29+,32-/m1/s1
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US Patent
8n/a 51.8n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50359017
PNG
(CHEMBL1924018)
Show SMILES Cc1cc(Oc2ccc(cc2)C(=O)NCCN2CCCC2)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C27H26Cl2F3N3O4S/c1-17-14-25(39-19-6-4-18(5-7-19)26(36)33-10-13-35-11-2-3-12-35)24(16-23(17)29)34-40(37,38)20-8-9-22(28)21(15-20)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)
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8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50359022
PNG
(CHEMBL1924023)
Show SMILES Cc1cc(ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C27H26Cl2F3N3O4S/c1-17-14-18(26(36)33-10-13-35-11-2-3-12-35)4-8-24(17)39-25-9-5-19(28)15-23(25)34-40(37,38)20-6-7-22(29)21(16-20)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)
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8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140254
PNG
(US8906911, 63)
Show SMILES C[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C26H35F3N4O2/c1-16-15-35-8-5-22(16)31-19-9-17-3-2-6-25(17,12-19)24(34)33-14-20-11-21(33)13-32(20)23-10-18(4-7-30-23)26(27,28)29/h4,7,10,16-17,19-22,31H,2-3,5-6,8-9,11-15H2,1H3/t16-,17-,19-,20+,21+,22+,25-/m1/s1
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10n/a 17.9n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50401547
PNG
(CHEMBL2207098)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cn1ccnn1
Show InChI InChI=1S/C15H10Cl4N4O2S/c16-11-2-1-10(6-13(11)18)26(24,25)21-15-7-14(19)12(17)5-9(15)8-23-4-3-20-22-23/h1-7,21H,8H2
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to CCR2 by 35S-gamma-GTP membrane assay


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50401550
PNG
(CHEMBL2207084)
Show SMILES Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H12Cl3N5O2S/c1-9-19-21-22-23(9)8-10-2-3-11(16)6-15(10)20-26(24,25)12-4-5-13(17)14(18)7-12/h2-7,20H,8H2,1H3
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to CCR2 by 35S-gamma-GTP membrane assay


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50401561
PNG
(CHEMBL2207082)
Show SMILES Clc1ccc(Cn2cnnc2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C15H11Cl3N4O2S/c16-11-2-1-10(7-22-8-19-20-9-22)15(5-11)21-25(23,24)12-3-4-13(17)14(18)6-12/h1-6,8-9,21H,7H2
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to CCR2 by 35S-gamma-GTP membrane assay


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
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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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to CCR2 by 35S-gamma-GTP membrane assay


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50359023
PNG
(CHEMBL1170725)
Show SMILES Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H12Cl3N3O3S/c1-10-16(3-2-6-21-10)26-17-15(7-11(18)9-22-17)23-27(24,25)12-4-5-13(19)14(20)8-12/h2-9,23H,1H3
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50416307
PNG
(CHEMBL1171011)
Show SMILES OC(=O)c1cncc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C17H10Cl3N3O5S/c18-10-4-15(23-29(26,27)12-1-2-13(19)14(20)5-12)16(22-7-10)28-11-3-9(17(24)25)6-21-8-11/h1-8,23H,(H,24,25)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50359015
PNG
(CHEMBL1924016)
Show SMILES COc1cc(Oc2ccc(cc2)C(=O)NCCN2CCCCC2)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C28H28Cl2F3N3O5S/c1-40-25-17-26(41-19-7-5-18(6-8-19)27(37)34-11-14-36-12-3-2-4-13-36)24(16-23(25)30)35-42(38,39)20-9-10-22(29)21(15-20)28(31,32)33/h5-10,15-17,35H,2-4,11-14H2,1H3,(H,34,37)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50359023
PNG
(CHEMBL1170725)
Show SMILES Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H12Cl3N3O3S/c1-10-16(3-2-6-21-10)26-17-15(7-11(18)9-22-17)23-27(24,25)12-4-5-13(19)14(20)8-12/h2-9,23H,1H3
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077916
PNG
(CHEMBL3417227)
Show SMILES CCOc1cncc(c1)-c1ccc2C(CCc2c1)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
Show InChI InChI=1/C35H40F3N3O2/c1-4-43-30-17-26(19-39-20-30)24-6-9-31-25(15-24)7-10-32(31)40-29-11-13-34(18-29,22(2)3)33(42)41-14-12-23-5-8-28(35(36,37)38)16-27(23)21-41/h5-6,8-9,15-17,19-20,22,29,32,40H,4,7,10-14,18,21H2,1-3H3/t29-,32?,34+/s2
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10n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077918
PNG
(CHEMBL3417225)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(ccc12)-c1cccnc1)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
Show InChI InChI=1/C33H36F3N3O/c1-21(2)32(31(40)39-15-12-22-5-8-27(33(34,35)36)17-26(22)20-39)13-11-28(18-32)38-30-10-7-24-16-23(6-9-29(24)30)25-4-3-14-37-19-25/h3-6,8-9,14,16-17,19,21,28,30,38H,7,10-13,15,18,20H2,1-2H3/t28-,30?,32+/s2
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10n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
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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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human CCR2


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50359012
PNG
(CHEMBL1924013)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C27H26Cl2F3N3O4S/c28-19-6-11-25(24(16-19)34-40(37,38)21-9-10-23(29)22(17-21)27(30,31)32)39-20-7-4-18(5-8-20)26(36)33-12-15-35-13-2-1-3-14-35/h4-11,16-17,34H,1-3,12-15H2,(H,33,36)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077921
PNG
(CHEMBL3417221)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(ccc12)-c1ccc(cc1)C#N)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
Show InChI InChI=1/C35H36F3N3O/c1-22(2)34(33(42)41-16-14-25-7-10-29(35(36,37)38)18-28(25)21-41)15-13-30(19-34)40-32-12-9-27-17-26(8-11-31(27)32)24-5-3-23(20-39)4-6-24/h3-8,10-11,17-18,22,30,32,40H,9,12-16,19,21H2,1-2H3/t30-,32?,34+/s2
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11n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM140255
PNG
(US8906911, 64)
Show SMILES C[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C26H35F3N4O2/c1-16-15-35-8-5-22(16)31-19-9-17-3-2-6-25(17,12-19)24(34)33-14-20-11-21(33)13-32(20)23-10-18(4-7-30-23)26(27,28)29/h4,7,10,16-17,19-22,31H,2-3,5-6,8-9,11-15H2,1H3/t16-,17-,19-,20+,21+,22-,25-/m1/s1
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US Patent
12n/a 16.5n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...


US Patent US8906911 (2014)

More data for this
Ligand-Target Pair
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