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Compile Data Set for Download or QSAR

Found 245 hits with Last Name = 'zweemer' and Initial = 'aj'   
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))
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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
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 |c:15|
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



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


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


Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens (Human))
BDBM50440552
PNG
(CHEMBL2426340)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(Br)ccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C27H29BrF6N2O/c1-15(2)25(8-7-21(13-25)36-23-6-3-17-11-20(28)4-5-22(17)23)24(37)35-14-16-9-18(26(29,30)31)12-19(10-16)27(32,33)34/h4-5,9-12,15,21,23,36H,3,6-8,13-14H2,1-2H3,(H,35,37)/t21-,23?,25+/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)


Article DOI: 10.1021/jm4011737
BindingDB Entry DOI: 10.7270/Q2FT8NG3
More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens (Human))
BDBM50440556
PNG
(CHEMBL2426334)
Show SMILES COc1cc2CCC(N[C@@H]3CC[C@](C3)(C(C)C)C(=O)NCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c2cc1OC |r|
Show InChI InChI=1S/C29H34F6N2O3/c1-16(2)27(26(38)36-15-17-9-19(28(30,31)32)12-20(10-17)29(33,34)35)8-7-21(14-27)37-23-6-5-18-11-24(39-3)25(40-4)13-22(18)23/h9-13,16,21,23,37H,5-8,14-15H2,1-4H3,(H,36,38)/t21-,23?,27+/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)


Article DOI: 10.1021/jm4011737
BindingDB Entry DOI: 10.7270/Q2FT8NG3
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
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 |r|
Show InChI InChI=1S/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-/m0/s1
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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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50518094
PNG
(CHEMBL4450561)
Show SMILES OC1=C(C(C2CCCCC2)N(C1=O)c1ccc(Br)cc1F)C(=O)C1CC1 |t:1|
Show InChI InChI=1S/C20H21BrFNO3/c21-13-8-9-15(14(22)10-13)23-17(11-4-2-1-3-5-11)16(19(25)20(23)26)18(24)12-6-7-12/h8-12,17,25H,1-7H2
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5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR1 expressed in human U20S cell membranes co-expressing Gal4-VP16 transcriptio...


J Med Chem 61: 9146-9161 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00605
BindingDB Entry DOI: 10.7270/Q2222Z5H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50518094
PNG
(CHEMBL4450561)
Show SMILES OC1=C(C(C2CCCCC2)N(C1=O)c1ccc(Br)cc1F)C(=O)C1CC1 |t:1|
Show InChI InChI=1S/C20H21BrFNO3/c21-13-8-9-15(14(22)10-13)23-17(11-4-2-1-3-5-11)16(19(25)20(23)26)18(24)12-6-7-12/h8-12,17,25H,1-7H2
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5.40n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR1 expressed in human U20S cell membranes co-expressing Gal4-VP16 transcriptio...


J Med Chem 61: 9146-9161 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00605
BindingDB Entry DOI: 10.7270/Q2222Z5H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50518075
PNG
(CHEMBL4577133)
Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Br)cc1F |c:3|
Show InChI InChI=1S/C18H19BrFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3
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5.60n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR2b expressed in human U20S cell membranes co-expressing Gal4-VP16 transcripti...


J Med Chem 61: 9146-9161 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00605
BindingDB Entry DOI: 10.7270/Q2222Z5H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50518075
PNG
(CHEMBL4577133)
Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Br)cc1F |c:3|
Show InChI InChI=1S/C18H19BrFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3
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6n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR2b expressed in human U20S cell membranes co-expressing Gal4-VP16 transcripti...


J Med Chem 61: 9146-9161 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00605
BindingDB Entry DOI: 10.7270/Q2222Z5H
More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens (Human))
BDBM50440549
PNG
(CHEMBL2426351)
Show SMILES COc1ccc2C(CCc2c1)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C28H32F6N2O2/c1-16(2)26(9-8-21(14-26)36-24-7-4-18-12-22(38-3)5-6-23(18)24)25(37)35-15-17-10-19(27(29,30)31)13-20(11-17)28(32,33)34/h5-6,10-13,16,21,24,36H,4,7-9,14-15H2,1-3H3,(H,35,37)/t21-,24?,26+/m1/s1
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6.10n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)


Article DOI: 10.1021/jm4011737
BindingDB Entry DOI: 10.7270/Q2FT8NG3
More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens (Human))
BDBM50440557
PNG
(CHEMBL2426335)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc3OCOc3cc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C28H30F6N2O3/c1-15(2)26(25(37)35-13-16-7-18(27(29,30)31)10-19(8-16)28(32,33)34)6-5-20(12-26)36-22-4-3-17-9-23-24(11-21(17)22)39-14-38-23/h7-11,15,20,22,36H,3-6,12-14H2,1-2H3,(H,35,37)/t20-,22?,26+/m1/s1
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6.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)


Article DOI: 10.1021/jm4011737
BindingDB Entry DOI: 10.7270/Q2FT8NG3
More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens (Human))
BDBM50257898
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C23H30F6N2O2/c1-14(2)21(6-3-19(12-21)31-18-4-7-33-8-5-18)20(32)30-13-15-9-16(22(24,25)26)11-17(10-15)23(27,28)29/h9-11,14,18-19,31H,3-8,12-13H2,1-2H3,(H,30,32)/t19-,21+/m1/s1
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6.80n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)


Article DOI: 10.1021/jm4011737
BindingDB Entry DOI: 10.7270/Q2FT8NG3
More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens (Human))
BDBM50440552
PNG
(CHEMBL2426340)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(Br)ccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C27H29BrF6N2O/c1-15(2)25(8-7-21(13-25)36-23-6-3-17-11-20(28)4-5-22(17)23)24(37)35-14-16-9-18(26(29,30)31)12-19(10-16)27(32,33)34/h4-5,9-12,15,21,23,36H,3,6-8,13-14H2,1-2H3,(H,35,37)/t21-,23?,25+/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)


Article DOI: 10.1021/jm4011737
BindingDB Entry DOI: 10.7270/Q2FT8NG3
More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens (Human))
BDBM50440552
PNG
(CHEMBL2426340)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(Br)ccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C27H29BrF6N2O/c1-15(2)25(8-7-21(13-25)36-23-6-3-17-11-20(28)4-5-22(17)23)24(37)35-14-16-9-18(26(29,30)31)12-19(10-16)27(32,33)34/h4-5,9-12,15,21,23,36H,3,6-8,13-14H2,1-2H3,(H,35,37)/t21-,23?,25+/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)


Article DOI: 10.1021/jm4011737
BindingDB Entry DOI: 10.7270/Q2FT8NG3
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50518093
PNG
(CHEMBL4535696)
Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Cl)c(C)c1 |c:3|
Show InChI InChI=1S/C19H22ClNO3/c1-11-10-14(8-9-15(11)20)21-17(13-6-4-3-5-7-13)16(12(2)22)18(23)19(21)24/h8-10,13,17,23H,3-7H2,1-2H3
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8.10n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR2b expressed in human U20S cell membranes co-expressing Gal4-VP16 transcripti...


J Med Chem 61: 9146-9161 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00605
BindingDB Entry DOI: 10.7270/Q2222Z5H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50518093
PNG
(CHEMBL4535696)
Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Cl)c(C)c1 |c:3|
Show InChI InChI=1S/C19H22ClNO3/c1-11-10-14(8-9-15(11)20)21-17(13-6-4-3-5-7-13)16(12(2)22)18(23)19(21)24/h8-10,13,17,23H,3-7H2,1-2H3
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8.13n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR2b expressed in human U20S cell membranes co-expressing Gal4-VP16 transcripti...


J Med Chem 61: 9146-9161 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00605
BindingDB Entry DOI: 10.7270/Q2222Z5H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50518083
PNG
(CHEMBL4475389)
Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Cl)cc1F |c:3|
Show InChI InChI=1S/C18H19ClFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3
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10n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR2b expressed in human U20S cell membranes co-expressing Gal4-VP16 transcripti...


J Med Chem 61: 9146-9161 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00605
BindingDB Entry DOI: 10.7270/Q2222Z5H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50518075
PNG
(CHEMBL4577133)
Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Br)cc1F |c:3|
Show InChI InChI=1S/C18H19BrFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3
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10n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR1 expressed in human U20S cell membranes co-expressing Gal4-VP16 transcriptio...


J Med Chem 61: 9146-9161 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00605
BindingDB Entry DOI: 10.7270/Q2222Z5H
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50518083
PNG
(CHEMBL4475389)
Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Cl)cc1F |c:3|
Show InChI InChI=1S/C18H19ClFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3
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11n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR2b expressed in human U20S cell membranes co-expressing Gal4-VP16 transcripti...


J Med Chem 61: 9146-9161 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00605
BindingDB Entry DOI: 10.7270/Q2222Z5H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50518075
PNG
(CHEMBL4577133)
Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Br)cc1F |c:3|
Show InChI InChI=1S/C18H19BrFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3
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11n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR1 expressed in human U20S cell membranes co-expressing Gal4-VP16 transcriptio...


J Med Chem 61: 9146-9161 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00605
BindingDB Entry DOI: 10.7270/Q2222Z5H
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077914
PNG
(CHEMBL3417229)
Show SMILES COc1cc(c(F)cn1)-c1ccc2C(CCc2c1)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r|
Show InChI InChI=1S/C34H37F4N3O2/c1-20(2)33(32(42)41-13-11-21-4-7-25(34(36,37)38)15-24(21)19-41)12-10-26(17-33)40-30-9-6-22-14-23(5-8-27(22)30)28-16-31(43-3)39-18-29(28)35/h4-5,7-8,14-16,18,20,26,30,40H,6,9-13,17,19H2,1-3H3/t26-,30?,33+/m1/s1
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12n/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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077926
PNG
(CHEMBL3417122)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2ccc(cc12)C#N)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r|
Show InChI InChI=1S/C29H32F3N3O/c1-18(2)28(27(36)35-12-10-20-5-7-23(29(30,31)32)14-22(20)17-35)11-9-24(15-28)34-26-8-6-21-4-3-19(16-33)13-25(21)26/h3-5,7,13-14,18,24,26,34H,6,8-12,15,17H2,1-2H3/t24-,26?,28+/m1/s1
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13n/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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077950
PNG
(CHEMBL3417120)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(ccc12)C(F)(F)F)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r|
Show InChI InChI=1S/C29H32F6N2O/c1-17(2)27(26(38)37-12-10-18-3-5-21(28(30,31)32)14-20(18)16-37)11-9-23(15-27)36-25-8-4-19-13-22(29(33,34)35)6-7-24(19)25/h3,5-7,13-14,17,23,25,36H,4,8-12,15-16H2,1-2H3/t23-,25?,27+/m1/s1
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13n/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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077910
PNG
(CHEMBL3417233)
Show SMILES COc1cc2C(CC(C)c2cc1Br)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r|
Show InChI InChI=1S/C30H36BrF3N2O2/c1-17(2)29(28(37)36-10-8-19-5-6-21(30(32,33)34)12-20(19)16-36)9-7-22(15-29)35-26-11-18(3)23-13-25(31)27(38-4)14-24(23)26/h5-6,12-14,17-18,22,26,35H,7-11,15-16H2,1-4H3/t18?,22-,26?,29+/m1/s1
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13n/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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50518083
PNG
(CHEMBL4475389)
Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Cl)cc1F |c:3|
Show InChI InChI=1S/C18H19ClFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3
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15n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR1 expressed in human U20S cell membranes co-expressing Gal4-VP16 transcriptio...


J Med Chem 61: 9146-9161 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00605
BindingDB Entry DOI: 10.7270/Q2222Z5H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50518083
PNG
(CHEMBL4475389)
Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Cl)cc1F |c:3|
Show InChI InChI=1S/C18H19ClFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3
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15n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR1 expressed in human U20S cell membranes co-expressing Gal4-VP16 transcriptio...


J Med Chem 61: 9146-9161 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00605
BindingDB Entry DOI: 10.7270/Q2222Z5H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077987
PNG
(CHEMBL3417110)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2ccccc12)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r|
Show InChI InChI=1S/C28H35F3N4O/c1-19(2)27(11-9-22(18-27)33-24-8-7-20-5-3-4-6-23(20)24)26(36)35-15-13-34(14-16-35)25-17-21(10-12-32-25)28(29,30)31/h3-6,10,12,17,19,22,24,33H,7-9,11,13-16,18H2,1-2H3/t22-,24?,27+/m1/s1
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15n/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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077983
PNG
(CHEMBL3417114)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2c1cccc2C#N)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r|
Show InChI InChI=1S/C29H32F3N3O/c1-18(2)28(27(36)35-13-11-19-6-7-22(29(30,31)32)14-21(19)17-35)12-10-23(15-28)34-26-9-8-24-20(16-33)4-3-5-25(24)26/h3-7,14,18,23,26,34H,8-13,15,17H2,1-2H3/t23-,26?,28+/m1/s1
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15n/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


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50518094
PNG
(CHEMBL4450561)
Show SMILES OC1=C(C(C2CCCCC2)N(C1=O)c1ccc(Br)cc1F)C(=O)C1CC1 |t:1|
Show InChI InChI=1S/C20H21BrFNO3/c21-13-8-9-15(14(22)10-13)23-17(11-4-2-1-3-5-11)16(19(25)20(23)26)18(24)12-6-7-12/h8-12,17,25H,1-7H2
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15n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR2b expressed in human U20S cell membranes co-expressing Gal4-VP16 transcripti...


J Med Chem 61: 9146-9161 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00605
BindingDB Entry DOI: 10.7270/Q2222Z5H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50518094
PNG
(CHEMBL4450561)
Show SMILES OC1=C(C(C2CCCCC2)N(C1=O)c1ccc(Br)cc1F)C(=O)C1CC1 |t:1|
Show InChI InChI=1S/C20H21BrFNO3/c21-13-8-9-15(14(22)10-13)23-17(11-4-2-1-3-5-11)16(19(25)20(23)26)18(24)12-6-7-12/h8-12,17,25H,1-7H2
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15n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR2b expressed in human U20S cell membranes co-expressing Gal4-VP16 transcripti...


J Med Chem 61: 9146-9161 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00605
BindingDB Entry DOI: 10.7270/Q2222Z5H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50518085
PNG
(CHEMBL4457687)
Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Br)cc1 |c:3|
Show InChI InChI=1S/C18H20BrNO3/c1-11(21)15-16(12-5-3-2-4-6-12)20(18(23)17(15)22)14-9-7-13(19)8-10-14/h7-10,12,16,22H,2-6H2,1H3
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16n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR2b expressed in human U20S cell membranes co-expressing Gal4-VP16 transcripti...


J Med Chem 61: 9146-9161 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00605
BindingDB Entry DOI: 10.7270/Q2222Z5H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50518085
PNG
(CHEMBL4457687)
Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Br)cc1 |c:3|
Show InChI InChI=1S/C18H20BrNO3/c1-11(21)15-16(12-5-3-2-4-6-12)20(18(23)17(15)22)14-9-7-13(19)8-10-14/h7-10,12,16,22H,2-6H2,1H3
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17n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR2b expressed in human U20S cell membranes co-expressing Gal4-VP16 transcripti...


J Med Chem 61: 9146-9161 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00605
BindingDB Entry DOI: 10.7270/Q2222Z5H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50518107
PNG
(CHEMBL4464639)
Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(C)c(C)c1 |c:3|
Show InChI InChI=1S/C20H25NO3/c1-12-9-10-16(11-13(12)2)21-18(15-7-5-4-6-8-15)17(14(3)22)19(23)20(21)24/h9-11,15,18,23H,4-8H2,1-3H3
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18n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR2b expressed in human U20S cell membranes co-expressing Gal4-VP16 transcripti...


J Med Chem 61: 9146-9161 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00605
BindingDB Entry DOI: 10.7270/Q2222Z5H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50518107
PNG
(CHEMBL4464639)
Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(C)c(C)c1 |c:3|
Show InChI InChI=1S/C20H25NO3/c1-12-9-10-16(11-13(12)2)21-18(15-7-5-4-6-8-15)17(14(3)22)19(23)20(21)24/h9-11,15,18,23H,4-8H2,1-3H3
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18n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR2b expressed in human U20S cell membranes co-expressing Gal4-VP16 transcripti...


J Med Chem 61: 9146-9161 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00605
BindingDB Entry DOI: 10.7270/Q2222Z5H
More data for this
Ligand-Target Pair
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