Found 326 hits with Last Name = 'rose' and Initial = 'av' 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 |
|---|
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50089354
(CHEMBL3577945)Show SMILES CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1 | UniProtKB/SwissProt
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| 341 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic acetylcholine receptor M1 (unknown origin) |
ACS Med Chem Lett 6: 439-44 (2015)
Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50089354
(CHEMBL3577945)Show SMILES CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1 | PDB
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| 865 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic acetylcholine receptor M4 (unknown origin) |
ACS Med Chem Lett 6: 439-44 (2015)
Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50089354
(CHEMBL3577945)Show SMILES CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1 | PDB
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| 4.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic acetylcholine receptor M2 (unknown origin) |
ACS Med Chem Lett 6: 439-44 (2015)
Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50089354
(CHEMBL3577945)Show SMILES CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1 | PDB
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| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degC |
ACS Med Chem Lett 6: 439-44 (2015)
Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50557876
(CHEMBL4764460)Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(n2)C(C)(C)C)C1=O)NC(C)(C)C |r| | PDB
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as reduction in MCP1-induced chemotaxis measured after 30 mins by calcein-AM dye based fluor... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00082
BindingDB Entry DOI: 10.7270/Q24J0JS9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50089366
(CHEMBL3577948)Show SMILES CC(C)[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C26H36F3N5O/c1-15(2)19-13-18(33(5)16(3)4)7-9-23(19)34-11-10-22(25(34)35)32-24-20-12-17(26(27,28)29)6-8-21(20)30-14-31-24/h6,8,12,14-16,18-19,22-23H,7,9-11,13H2,1-5H3,(H,30,31,32)/t18-,19+,22+,23+/m1/s1 | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | 25 |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of [125I]hMCP1 binding to CCR2 in human PBMC incubated for 30 mins at room temperature |
ACS Med Chem Lett 6: 439-44 (2015)
Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50509862
(CHEMBL4457723)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@@H](C1)NS(C)(=O)=O)N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C24H33F3N6O3S/c1-14(2)32(3)16-6-8-21(20(12-16)31-37(4,35)36)33-10-9-19(23(33)34)30-22-17-11-15(24(25,26)27)5-7-18(17)28-13-29-22/h5,7,11,13-14,16,19-21,31H,6,8-10,12H2,1-4H3,(H,28,29,30)/t16-,19+,20-,21+/m1/s1 | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC measured after 30 mins |
ACS Med Chem Lett 10: 300-305 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00439
BindingDB Entry DOI: 10.7270/Q22R3W0Q |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50089356
(CHEMBL3577933)Show SMILES CCC[C@H](O)[C@H](CNCC(C)(C)C)NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F |r| Show InChI InChI=1S/C25H40F3N5O4/c1-7-8-20(34)19(12-29-14-24(4,5)6)32-21(35)13-30-22(36)17-11-16(25(26,27)28)9-10-18(17)33-23(37)31-15(2)3/h9-11,15,19-20,29,34H,7-8,12-14H2,1-6H3,(H,30,36)(H,32,35)(H2,31,33,37)/t19-,20-/m0/s1 | PDB
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| n/a | n/a | <0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degC |
ACS Med Chem Lett 6: 439-44 (2015)
Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50089355
(CHEMBL3577932)Show SMILES CCC[C@H](O)[C@H](CNCC(C)C)NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F |r| Show InChI InChI=1S/C24H38F3N5O4/c1-6-7-20(33)19(12-28-11-14(2)3)31-21(34)13-29-22(35)17-10-16(24(25,26)27)8-9-18(17)32-23(36)30-15(4)5/h8-10,14-15,19-20,28,33H,6-7,11-13H2,1-5H3,(H,29,35)(H,31,34)(H2,30,32,36)/t19-,20-/m0/s1 | PDB
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| n/a | n/a | <0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degC |
ACS Med Chem Lett 6: 439-44 (2015)
Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50089364
(CHEMBL3577946)Show SMILES CC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C25H34F3N5O/c1-5-16-12-18(32(4)15(2)3)7-9-22(16)33-11-10-21(24(33)34)31-23-19-13-17(25(26,27)28)6-8-20(19)29-14-30-23/h6,8,13-16,18,21-22H,5,7,9-12H2,1-4H3,(H,29,30,31)/t16-,18-,21+,22+/m1/s1 | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | 25 |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of [125I]hMCP1 binding to CCR2 in human PBMC incubated for 30 mins at room temperature |
ACS Med Chem Lett 6: 439-44 (2015)
Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50089364
(CHEMBL3577946)Show SMILES CC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C25H34F3N5O/c1-5-16-12-18(32(4)15(2)3)7-9-22(16)33-11-10-21(24(33)34)31-23-19-13-17(25(26,27)28)6-8-20(19)29-14-30-23/h6,8,13-16,18,21-22H,5,7,9-12H2,1-4H3,(H,29,30,31)/t16-,18-,21+,22+/m1/s1 | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degC |
ACS Med Chem Lett 6: 439-44 (2015)
Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50089353
(CHEMBL3577942)Show SMILES CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cc(ccc2NC(=O)NCC)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C28H42F3N5O3/c1-6-8-18-15-20(35(5)17(3)4)10-12-24(18)36-14-13-23(26(36)38)33-25(37)21-16-19(28(29,30)31)9-11-22(21)34-27(39)32-7-2/h9,11,16-18,20,23-24H,6-8,10,12-15H2,1-5H3,(H,33,37)(H2,32,34,39)/t18-,20-,23+,24+/m1/s1 | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degC |
ACS Med Chem Lett 6: 439-44 (2015)
Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50557877
(CHEMBL4790208)Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(nc23)C(C)(C)C)C1=O)NC(C)(C)C |r| | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as reduction in MCP1-induced chemotaxis measured after 30 mins by calcein-AM dye based fluor... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00082
BindingDB Entry DOI: 10.7270/Q24J0JS9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50509860
(CHEMBL4442783)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@@H](C1)NC(C)=O)N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H33F3N6O2/c1-14(2)33(4)17-6-8-22(21(12-17)31-15(3)35)34-10-9-20(24(34)36)32-23-18-11-16(25(26,27)28)5-7-19(18)29-13-30-23/h5,7,11,13-14,17,20-22H,6,8-10,12H2,1-4H3,(H,31,35)(H,29,30,32)/t17-,20+,21-,22+/m1/s1 | PDB
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| n/a | n/a | 0.670 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 in human THP1 cells assessed as reduction in MCP1-induced chemotaxis measured after 10 mins by calcein-AM dye based fluorescence a... |
ACS Med Chem Lett 10: 300-305 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00439
BindingDB Entry DOI: 10.7270/Q22R3W0Q |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50089354
(CHEMBL3577945)Show SMILES CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1 | PDB
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | 25 |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of [125I]hMCP1 binding to CCR2 in human PBMC incubated for 30 mins at room temperature |
ACS Med Chem Lett 6: 439-44 (2015)
Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50089354
(CHEMBL3577945)Show SMILES CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1 | PDB
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC measured after 30 mins |
ACS Med Chem Lett 10: 300-305 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00439
BindingDB Entry DOI: 10.7270/Q22R3W0Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50509860
(CHEMBL4442783)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@@H](C1)NC(C)=O)N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H33F3N6O2/c1-14(2)33(4)17-6-8-22(21(12-17)31-15(3)35)34-10-9-20(24(34)36)32-23-18-11-16(25(26,27)28)5-7-19(18)29-13-30-23/h5,7,11,13-14,17,20-22H,6,8-10,12H2,1-4H3,(H,31,35)(H,29,30,32)/t17-,20+,21-,22+/m1/s1 | PDB
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CCR2 in human THP-1 cells assessed as reduction in CCL2-induced chemotaxis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI: 10.7270/Q2M04981 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50509860
(CHEMBL4442783)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@@H](C1)NC(C)=O)N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H33F3N6O2/c1-14(2)33(4)17-6-8-22(21(12-17)31-15(3)35)34-10-9-20(24(34)36)32-23-18-11-16(25(26,27)28)5-7-19(18)29-13-30-23/h5,7,11,13-14,17,20-22H,6,8-10,12H2,1-4H3,(H,31,35)(H,29,30,32)/t17-,20+,21-,22+/m1/s1 | PDB
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as reduction in MCP1-induced chemotaxis measured after 30 mins by calcein-AM dye based fluor... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00082
BindingDB Entry DOI: 10.7270/Q24J0JS9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50557872
(CHEMBL4781426)Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)NC(C)(C)C |r| | PDB
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TBA
| Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as reduction in MCP1-induced chemotaxis measured after 30 mins by calcein-AM dye based fluor... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00082
BindingDB Entry DOI: 10.7270/Q24J0JS9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50578294
(Bms 813160 | Bms-813160)Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C | PDB
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TBA
| Assay Description
Antagonist activity at CCR2 in human THP-1 cells assessed as reduction in CCL2-induced chemotaxis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI: 10.7270/Q2M04981 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50315994
(CHEMBL1091604 | N-(2-((1S,2R,4R)-4-(isopropyl(meth...)Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccccc2)C1 |r| Show InChI InChI=1S/C27H34F3N3O4S/c1-18(2)33(3)22-12-13-24(20(15-22)17-38(36,37)23-10-5-4-6-11-23)32-25(34)16-31-26(35)19-8-7-9-21(14-19)27(28,29)30/h4-11,14,18,20,22,24H,12-13,15-17H2,1-3H3,(H,31,35)(H,32,34)/t20-,22+,24-/m0/s1 | PDB
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Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of [125I]hMCP1 binding to CCR2 in human PBMC incubated for 30 mins at room temperature |
ACS Med Chem Lett 6: 439-44 (2015)
Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50089356
(CHEMBL3577933)Show SMILES CCC[C@H](O)[C@H](CNCC(C)(C)C)NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F |r| Show InChI InChI=1S/C25H40F3N5O4/c1-7-8-20(34)19(12-29-14-24(4,5)6)32-21(35)13-30-22(36)17-11-16(25(26,27)28)9-10-18(17)33-23(37)31-15(2)3/h9-11,15,19-20,29,34H,7-8,12-14H2,1-6H3,(H,30,36)(H,32,35)(H2,31,33,37)/t19-,20-/m0/s1 | PDB
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | 25 |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of [125I]hMCP1 binding to CCR2 in human PBMC incubated for 30 mins at room temperature |
ACS Med Chem Lett 6: 439-44 (2015)
Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50557872
(CHEMBL4781426)Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)NC(C)(C)C |r| | PDB
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CCR2 in human THP-1 cells assessed as reduction in CCL2-induced chemotaxis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI: 10.7270/Q2M04981 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50509863
(CHEMBL4470701)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H34F3N5O3S/c1-15(2)32(3)18-6-8-22(16(11-18)13-37(4,35)36)33-10-9-21(24(33)34)31-23-19-12-17(25(26,27)28)5-7-20(19)29-14-30-23/h5,7,12,14-16,18,21-22H,6,8-11,13H2,1-4H3,(H,29,30,31)/t16-,18+,21-,22-/m0/s1 | PDB
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC measured after 30 mins |
ACS Med Chem Lett 10: 300-305 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00439
BindingDB Entry DOI: 10.7270/Q22R3W0Q |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50089353
(CHEMBL3577942)Show SMILES CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cc(ccc2NC(=O)NCC)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C28H42F3N5O3/c1-6-8-18-15-20(35(5)17(3)4)10-12-24(18)36-14-13-23(26(36)38)33-25(37)21-16-19(28(29,30)31)9-11-22(21)34-27(39)32-7-2/h9,11,16-18,20,23-24H,6-8,10,12-15H2,1-5H3,(H,33,37)(H2,32,34,39)/t18-,20-,23+,24+/m1/s1 | PDB
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Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of [125I]hMCP1 binding to CCR2 in human PBMC incubated for 30 mins at room temperature |
ACS Med Chem Lett 6: 439-44 (2015)
Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056498
(CHEMBL3334818)Show SMILES CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C26H34ClN3O3/c1-18(2)22(29-24(32)28-16-19-8-6-5-7-9-19)23(31)30-15-14-26(33,25(3,4)17-30)20-10-12-21(27)13-11-20/h5-13,18,22,33H,14-17H2,1-4H3,(H2,28,29,32)/t22-,26+/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056504
(CHEMBL3334824)Show SMILES CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1 | PDB
Reactome pathway
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| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50509860
(CHEMBL4442783)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@@H](C1)NC(C)=O)N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H33F3N6O2/c1-14(2)33(4)17-6-8-22(21(12-17)31-15(3)35)34-10-9-20(24(34)36)32-23-18-11-16(25(26,27)28)5-7-19(18)29-13-30-23/h5,7,11,13-14,17,20-22H,6,8-10,12H2,1-4H3,(H,31,35)(H,29,30,32)/t17-,20+,21-,22+/m1/s1 | PDB
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC measured after 30 mins |
ACS Med Chem Lett 10: 300-305 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00439
BindingDB Entry DOI: 10.7270/Q22R3W0Q |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50509860
(CHEMBL4442783)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@@H](C1)NC(C)=O)N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H33F3N6O2/c1-14(2)33(4)17-6-8-22(21(12-17)31-15(3)35)34-10-9-20(24(34)36)32-23-18-11-16(25(26,27)28)5-7-19(18)29-13-30-23/h5,7,11,13-14,17,20-22H,6,8-10,12H2,1-4H3,(H,31,35)(H,29,30,32)/t17-,20+,21-,22+/m1/s1 | PDB
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC measured after 30 mins by Microscintillation counting analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00082
BindingDB Entry DOI: 10.7270/Q24J0JS9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50089355
(CHEMBL3577932)Show SMILES CCC[C@H](O)[C@H](CNCC(C)C)NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F |r| Show InChI InChI=1S/C24H38F3N5O4/c1-6-7-20(33)19(12-28-11-14(2)3)31-21(34)13-29-22(35)17-10-16(24(25,26)27)8-9-18(17)32-23(36)30-15(4)5/h8-10,14-15,19-20,28,33H,6-7,11-13H2,1-5H3,(H,29,35)(H,31,34)(H2,30,32,36)/t19-,20-/m0/s1 | PDB
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | 25 |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of [125I]hMCP1 binding to CCR2 in human PBMC incubated for 30 mins at room temperature |
ACS Med Chem Lett 6: 439-44 (2015)
Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50578294
(Bms 813160 | Bms-813160)Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C | PDB
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PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CCR5 in human peripheral T cells assessed as reduction in MIP-1beta-induced chemotaxis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI: 10.7270/Q2M04981 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50557872
(CHEMBL4781426)Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)NC(C)(C)C |r| | PDB
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CCR5 in human peripheral T cells assessed as reduction in MIP-1beta-induced chemotaxis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI: 10.7270/Q2M04981 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50557876
(CHEMBL4764460)Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(n2)C(C)(C)C)C1=O)NC(C)(C)C |r| | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC measured after 30 mins by Microscintillation counting analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00082
BindingDB Entry DOI: 10.7270/Q24J0JS9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50315994
(CHEMBL1091604 | N-(2-((1S,2R,4R)-4-(isopropyl(meth...)Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccccc2)C1 |r| Show InChI InChI=1S/C27H34F3N3O4S/c1-18(2)33(3)22-12-13-24(20(15-22)17-38(36,37)23-10-5-4-6-11-23)32-25(34)16-31-26(35)19-8-7-9-21(14-19)27(28,29)30/h4-11,14,18,20,22,24H,12-13,15-17H2,1-3H3,(H,31,35)(H,32,34)/t20-,22+,24-/m0/s1 | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degC |
ACS Med Chem Lett 6: 439-44 (2015)
Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50509864
(CHEMBL4465351)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@@H](C1)N(C)S(C)(=O)=O)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C24H35F3N4O4S/c1-15(2)29(3)18-9-10-20(21(14-18)30(4)36(5,34)35)31-12-11-19(23(31)33)28-22(32)16-7-6-8-17(13-16)24(25,26)27/h6-8,13,15,18-21H,9-12,14H2,1-5H3,(H,28,32)/t18-,19+,20+,21-/m1/s1 | PDB
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| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC measured after 30 mins |
ACS Med Chem Lett 10: 300-305 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00439
BindingDB Entry DOI: 10.7270/Q22R3W0Q |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50557875
(CHEMBL4757857)Show SMILES CN[C@@H]1CC[C@@H]([C@@H](C1)NC(C)=O)N1CC[C@H](NC(=O)c2cccc(n2)C(C)(C)C)C1=O |r| | PDB
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as reduction in MCP1-induced chemotaxis measured after 30 mins by calcein-AM dye based fluor... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00082
BindingDB Entry DOI: 10.7270/Q24J0JS9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50557870
(CHEMBL4760098)Show SMILES CN[C@@H]1CC[C@@H]([C@@H](C1)NC(C)=O)N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O |r| | PDB
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TBA
| Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as reduction in MCP1-induced chemotaxis measured after 30 mins by calcein-AM dye based fluor... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00082
BindingDB Entry DOI: 10.7270/Q24J0JS9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50089362
(CHEMBL3577943)Show SMILES CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cc(ccc2NC(=O)NC(C)C)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C29H44F3N5O3/c1-7-8-19-15-21(36(6)18(4)5)10-12-25(19)37-14-13-24(27(37)39)34-26(38)22-16-20(29(30,31)32)9-11-23(22)35-28(40)33-17(2)3/h9,11,16-19,21,24-25H,7-8,10,12-15H2,1-6H3,(H,34,38)(H2,33,35,40)/t19-,21-,24+,25+/m1/s1 | PDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | 25 |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of [125I]hMCP1 binding to CCR2 in human PBMC incubated for 30 mins at room temperature |
ACS Med Chem Lett 6: 439-44 (2015)
Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50009211
(CHEMBL3233178)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C24H34F3N3O4S/c1-15(2)29(3)19-8-9-21(17(13-19)14-35(4,33)34)30-11-10-20(23(30)32)28-22(31)16-6-5-7-18(12-16)24(25,26)27/h5-7,12,15,17,19-21H,8-11,13-14H2,1-4H3,(H,28,31)/t17-,19+,20-,21-/m0/s1 | PDB
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UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC measured after 30 mins |
ACS Med Chem Lett 10: 300-305 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00439
BindingDB Entry DOI: 10.7270/Q22R3W0Q |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50089337
(CHEMBL3577940)Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CCc2ccccc2)C1 |r| Show InChI InChI=1S/C28H36F3N3O2/c1-19(2)34(3)24-14-15-25(21(17-24)13-12-20-8-5-4-6-9-20)33-26(35)18-32-27(36)22-10-7-11-23(16-22)28(29,30)31/h4-11,16,19,21,24-25H,12-15,17-18H2,1-3H3,(H,32,36)(H,33,35)/t21-,24-,25+/m1/s1 | PDB
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UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degC |
ACS Med Chem Lett 6: 439-44 (2015)
Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50509861
(CHEMBL4463290)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@@H](C1)NS(C)(=O)=O)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C23H33F3N4O4S/c1-14(2)29(3)17-8-9-20(19(13-17)28-35(4,33)34)30-11-10-18(22(30)32)27-21(31)15-6-5-7-16(12-15)23(24,25)26/h5-7,12,14,17-20,28H,8-11,13H2,1-4H3,(H,27,31)/t17-,18+,19-,20+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC measured after 30 mins |
ACS Med Chem Lett 10: 300-305 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00439
BindingDB Entry DOI: 10.7270/Q22R3W0Q |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056441
(CHEMBL3334725)Show SMILES CC(C)[C@@H](NC(=O)NC1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H36ClN3O3/c1-16(2)20(27-22(30)26-19-7-5-6-8-19)21(29)28-14-13-24(31,23(3,4)15-28)17-9-11-18(25)12-10-17/h9-12,16,19-20,31H,5-8,13-15H2,1-4H3,(H2,26,27,30)/t20-,24+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056476
(CHEMBL3334728)Show SMILES CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H36ClN3O4/c1-15(2)20(27-22(31)26-18-9-10-19(29)13-18)21(30)28-12-11-24(32,23(3,4)14-28)16-5-7-17(25)8-6-16/h5-8,15,18-20,29,32H,9-14H2,1-4H3,(H2,26,27,31)/t18-,19+,20-,24+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056497
(CHEMBL3334817)Show SMILES CC[C@H](C)NC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O3/c1-7-16(4)25-21(29)26-19(15(2)3)20(28)27-13-12-23(30,22(5,6)14-27)17-8-10-18(24)11-9-17/h8-11,15-16,19,30H,7,12-14H2,1-6H3,(H2,25,26,29)/t16-,19+,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056501
(CHEMBL3334821)Show SMILES C[C@H](O)CNC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C22H34ClN3O4/c1-14(2)18(25-20(29)24-12-15(3)27)19(28)26-11-10-22(30,21(4,5)13-26)16-6-8-17(23)9-7-16/h6-9,14-15,18,27,30H,10-13H2,1-5H3,(H2,24,25,29)/t15-,18+,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056502
(CHEMBL3334822)Show SMILES C[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C22H33ClN2O4/c1-14(2)19(24-18(27)12-15(3)26)20(28)25-11-10-22(29,21(4,5)13-25)16-6-8-17(23)9-7-16/h6-9,14-15,19,26,29H,10-13H2,1-5H3,(H,24,27)/t15-,19-,22+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056503
(CHEMBL3334823)Show SMILES C[C@@H](O)CNC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C22H34ClN3O4/c1-14(2)18(25-20(29)24-12-15(3)27)19(28)26-11-10-22(30,21(4,5)13-26)16-6-8-17(23)9-7-16/h6-9,14-15,18,27,30H,10-13H2,1-5H3,(H2,24,25,29)/t15-,18-,22+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056505
(CHEMBL3334825)Show SMILES CC(C)[C@@H](NC(=O)CCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H37ClN2O4/c1-16(2)20(26-19(28)11-12-23(5,6)30)21(29)27-14-13-24(31,22(3,4)15-27)17-7-9-18(25)10-8-17/h7-10,16,20,30-31H,11-15H2,1-6H3,(H,26,28)/t20-,24+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50056497
(CHEMBL3334817)Show SMILES CC[C@H](C)NC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O3/c1-7-16(4)25-21(29)26-19(15(2)3)20(28)27-13-12-23(30,22(5,6)14-27)17-8-10-18(24)11-9-17/h8-11,15-16,19,30H,7,12-14H2,1-6H3,(H2,25,26,29)/t16-,19+,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MIP-1alpha induced chemotaxis after 60 mins |
J Med Chem 57: 7550-64 (2014)
Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50089363
(CHEMBL3577944)Show SMILES CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(Cl)cc23)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C25H36ClN5O/c1-5-6-17-13-19(30(4)16(2)3)8-10-23(17)31-12-11-22(25(31)32)29-24-20-14-18(26)7-9-21(20)27-15-28-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,27,28,29)/t17-,19-,22+,23+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | 25 |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of [125I]hMCP1 binding to CCR2 in human PBMC incubated for 30 mins at room temperature |
ACS Med Chem Lett 6: 439-44 (2015)
Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM |
More data for this
Ligand-Target Pair | |
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