Found 39 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50077906
(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 | PDB
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PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50077986
(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 | PDB
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50077966
(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 | PDB
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| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50077925
(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 | PDB
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PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50077918
(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 | PDB
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PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50077916
(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 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50077921
(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 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50077987
(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 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50077982
(CHEMBL3417115)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2c1cccc2O)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r| Show InChI InChI=1S/C28H33F3N2O2/c1-17(2)27(12-10-21(15-27)32-24-9-8-23-22(24)4-3-5-25(23)34)26(35)33-13-11-18-6-7-20(28(29,30)31)14-19(18)16-33/h3-7,14,17,21,24,32,34H,8-13,15-16H2,1-2H3/t21-,24?,27+/m1/s1 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50077915
(CHEMBL3417228)Show SMILES COc1cc(ccn1)-c1ccc2C(CCc2c1)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r| Show InChI InChI=1S/C34H38F3N3O2/c1-21(2)33(32(41)40-15-12-22-4-7-27(34(35,36)37)17-26(22)20-40)13-10-28(19-33)39-30-9-6-25-16-23(5-8-29(25)30)24-11-14-38-31(18-24)42-3/h4-5,7-8,11,14,16-18,21,28,30,39H,6,9-10,12-13,15,19-20H2,1-3H3/t28-,30?,33+/m1/s1 | PDB
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50077948
(CHEMBL3417121)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2ccc(C)cc12)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r| Show InChI InChI=1S/C29H35F3N2O/c1-18(2)28(12-10-24(16-28)33-26-9-7-21-5-4-19(3)14-25(21)26)27(35)34-13-11-20-6-8-23(29(30,31)32)15-22(20)17-34/h4-6,8,14-15,18,24,26,33H,7,9-13,16-17H2,1-3H3/t24-,26?,28+/m1/s1 | PDB
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50077907
(CHEMBL3417236)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 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50077985
(CHEMBL3417112)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2c1cccc2C)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r| Show InChI InChI=1S/C29H35F3N2O/c1-18(2)28(13-11-23(16-28)33-26-10-9-24-19(3)5-4-6-25(24)26)27(35)34-14-12-20-7-8-22(29(30,31)32)15-21(20)17-34/h4-8,15,18,23,26,33H,9-14,16-17H2,1-3H3/t23-,26?,28+/m1/s1 | PDB
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| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50077920
(CHEMBL3417223)Show SMILES COc1cccc(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/C35H39F3N2O2/c1-22(2)34(33(41)40-16-14-23-7-10-28(35(36,37)38)18-27(23)21-40)15-13-29(20-34)39-32-12-9-26-17-25(8-11-31(26)32)24-5-4-6-30(19-24)42-3/h4-8,10-11,17-19,22,29,32,39H,9,12-16,20-21H2,1-3H3/t29-,32?,34+/m1/s1 | PDB
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| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50077917
(CHEMBL3417226)Show SMILES COc1cncc(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/C34H38F3N3O2/c1-21(2)33(32(41)40-13-11-22-4-7-27(34(35,36)37)15-26(22)20-40)12-10-28(17-33)39-31-9-6-24-14-23(5-8-30(24)31)25-16-29(42-3)19-38-18-25/h4-5,7-8,14-16,18-19,21,28,31,39H,6,9-13,17,20H2,1-3H3/t28-,31?,33+/m1/s1 | PDB
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| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50077923
(CHEMBL3417216)Show SMILES COc1ccc(OC)c2C(CCc12)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r| Show InChI InChI=1S/C30H37F3N2O3/c1-18(2)29(28(36)35-14-12-19-5-6-21(30(31,32)33)15-20(19)17-35)13-11-22(16-29)34-24-8-7-23-25(37-3)9-10-26(38-4)27(23)24/h5-6,9-10,15,18,22,24,34H,7-8,11-14,16-17H2,1-4H3/t22-,24?,29+/m1/s1 | PDB
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| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50257992
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(2,3-...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H30F6N2O/c1-16(2)25(10-9-21(14-25)35-23-8-7-18-5-3-4-6-22(18)23)24(36)34-15-17-11-19(26(28,29)30)13-20(12-17)27(31,32)33/h3-6,11-13,16,21,23,35H,7-10,14-15H2,1-2H3,(H,34,36)/t21-,23?,25+/m1/s1 | PDB
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50077922
(CHEMBL3417220)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(ccc12)-c1cccc(c1)C#N)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r| Show InChI InChI=1S/C35H36F3N3O/c1-22(2)34(33(42)41-15-13-24-6-9-29(35(36,37)38)18-28(24)21-41)14-12-30(19-34)40-32-11-8-27-17-26(7-10-31(27)32)25-5-3-4-23(16-25)20-39/h3-7,9-10,16-18,22,30,32,40H,8,11-15,19,21H2,1-2H3/t30-,32?,34+/m1/s1 | PDB
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| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50077919
(CHEMBL3417224)Show SMILES COc1ccc(cc1)-c1ccc2C(CCc2c1)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r| Show InChI InChI=1S/C35H39F3N2O2/c1-22(2)34(33(41)40-17-15-24-4-9-28(35(36,37)38)19-27(24)21-40)16-14-29(20-34)39-32-13-8-26-18-25(7-12-31(26)32)23-5-10-30(42-3)11-6-23/h4-7,9-12,18-19,22,29,32,39H,8,13-17,20-21H2,1-3H3/t29-,32?,34+/m1/s1 | PDB
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| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50077909
(CHEMBL3417234)Show SMILES CCC1CC(N[C@@H]2CC[C@](C2)(C(C)C)C(=O)N2CCc3ccc(cc3C2)C(F)(F)F)c2cc(OC)c(Br)cc12 |r| Show InChI InChI=1S/C31H38BrF3N2O2/c1-5-19-13-27(25-15-28(39-4)26(32)14-24(19)25)36-23-8-10-30(16-23,18(2)3)29(38)37-11-9-20-6-7-22(31(33,34)35)12-21(20)17-37/h6-7,12,14-15,18-19,23,27,36H,5,8-11,13,16-17H2,1-4H3/t19?,23-,27?,30+/m1/s1 | PDB
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| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50077988
(CHEMBL3417240)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 | PDB
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| 137 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50077989
(CHEMBL3417239)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 | PDB
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| 199 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50077906
(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 | PDB
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| n/a | n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/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 | |
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