Found 107 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)) | BDBM50219862
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C26H34F3N5O3/c1-15-6-7-17(16(2)10-15)12-31-13-21(24(37)34-25(3,4)5)33-22(35)14-32-23(36)19-11-18(26(27,28)29)8-9-20(19)30/h6-11,21,31H,12-14,30H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in THP1 cells assessed as inhibition of MCP1-induced Ca2+ flux |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219862
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C26H34F3N5O3/c1-15-6-7-17(16(2)10-15)12-31-13-21(24(37)34-25(3,4)5)33-22(35)14-32-23(36)19-11-18(26(27,28)29)8-9-20(19)30/h6-11,21,31H,12-14,30H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219840
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES CCNc1ccc(cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C)C(F)(F)F Show InChI InChI=1S/C28H38F3N5O3/c1-7-33-22-11-10-20(28(29,30)31)13-21(22)25(38)34-16-24(37)35-23(26(39)36-27(4,5)6)15-32-14-19-9-8-17(2)12-18(19)3/h8-13,23,32-33H,7,14-16H2,1-6H3,(H,34,38)(H,35,37)(H,36,39)/t23-/m0/s1 | PDB
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219850
((S)-1-(2-((2-(3-(2,4-dimethylbenzylamino)-1-(tert-...)Show SMILES CC(C)NC(=O)Nc1ccc(cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C)C(F)(F)F Show InChI InChI=1S/C30H41F3N6O4/c1-17(2)36-28(43)38-23-11-10-21(30(31,32)33)13-22(23)26(41)35-16-25(40)37-24(27(42)39-29(5,6)7)15-34-14-20-9-8-18(3)12-19(20)4/h8-13,17,24,34H,14-16H2,1-7H3,(H,35,41)(H,37,40)(H,39,42)(H2,36,38,43)/t24-/m0/s1 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219843
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES CNc1cc(cc(c1)C(F)(F)F)C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C Show InChI InChI=1S/C27H36F3N5O3/c1-16-7-8-18(17(2)9-16)13-32-14-22(25(38)35-26(3,4)5)34-23(36)15-33-24(37)19-10-20(27(28,29)30)12-21(11-19)31-6/h7-12,22,31-32H,13-15H2,1-6H3,(H,33,37)(H,34,36)(H,35,38)/t22-/m0/s1 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50133112
((R)-N-(2-(1-(2,4-dimethylbenzyl)pyrrolidin-3-ylami...)Show SMILES Cc1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)c(C)c1 Show InChI InChI=1S/C23H26F3N3O2/c1-15-6-7-18(16(2)10-15)13-29-9-8-20(14-29)28-21(30)12-27-22(31)17-4-3-5-19(11-17)23(24,25)26/h3-7,10-11,20H,8-9,12-14H2,1-2H3,(H,27,31)(H,28,30)/t20-/m1/s1 | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219847
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES CCNc1cc(cc(c1)C(F)(F)F)C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C Show InChI InChI=1S/C28H38F3N5O3/c1-7-33-22-12-20(11-21(13-22)28(29,30)31)25(38)34-16-24(37)35-23(26(39)36-27(4,5)6)15-32-14-19-9-8-17(2)10-18(19)3/h8-13,23,32-33H,7,14-16H2,1-6H3,(H,34,38)(H,35,37)(H,36,39)/t23-/m0/s1 | PDB
KEGG
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UniChem
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| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219837
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(ccc2NCc2ccccc2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C33H40F3N5O3/c1-21-11-12-24(22(2)15-21)18-37-19-28(31(44)41-32(3,4)5)40-29(42)20-39-30(43)26-16-25(33(34,35)36)13-14-27(26)38-17-23-9-7-6-8-10-23/h6-16,28,37-38H,17-20H2,1-5H3,(H,39,43)(H,40,42)(H,41,44)/t28-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219842
((S)-N-(2-(3-(4-bromo-2-methylbenzylamino)-1-(tert-...)Show SMILES Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(c1N)C(F)(F)F)C(=O)NC(C)(C)C Show InChI InChI=1S/C25H31BrF3N5O3/c1-14-10-16(26)9-8-15(14)11-31-12-19(23(37)34-24(2,3)4)33-20(35)13-32-22(36)17-6-5-7-18(21(17)30)25(27,28)29/h5-10,19,31H,11-13,30H2,1-4H3,(H,32,36)(H,33,35)(H,34,37)/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219865
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES CC(C)CNc1ccc(cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C)C(F)(F)F Show InChI InChI=1S/C30H42F3N5O3/c1-18(2)14-35-24-11-10-22(30(31,32)33)13-23(24)27(40)36-17-26(39)37-25(28(41)38-29(5,6)7)16-34-15-21-9-8-19(3)12-20(21)4/h8-13,18,25,34-35H,14-17H2,1-7H3,(H,36,40)(H,37,39)(H,38,41)/t25-/m0/s1 | PDB
KEGG
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AffyNet
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219851
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C26H34F3N5O3/c1-15-6-7-17(16(2)8-15)12-31-13-21(24(37)34-25(3,4)5)33-22(35)14-32-23(36)18-9-19(26(27,28)29)11-20(30)10-18/h6-11,21,31H,12-14,30H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219838
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(OC(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C26H34F3N5O4/c1-15-6-7-17(16(2)10-15)12-31-13-21(24(37)34-25(3,4)5)33-22(35)14-32-23(36)19-11-18(8-9-20(19)30)38-26(27,28)29/h6-11,21,31H,12-14,30H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t21-/m0/s1 | PDB
KEGG
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219907
((S)-N-(2-(3-(4-(dimethylamino)-2-methylbenzylamino...)Show SMILES CN(C)c1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C27H36F3N5O3/c1-17-12-21(35(5)6)11-10-19(17)14-31-15-22(25(38)34-26(2,3)4)33-23(36)16-32-24(37)18-8-7-9-20(13-18)27(28,29)30/h7-13,22,31H,14-16H2,1-6H3,(H,32,37)(H,33,36)(H,34,38)/t22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219882
((S)-N-(2-(3-(4-ethyl-2-methylbenzylamino)-1-(tert-...)Show SMILES CCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C27H35F3N4O3/c1-6-18-10-11-20(17(2)12-18)14-31-15-22(25(37)34-26(3,4)5)33-23(35)16-32-24(36)19-8-7-9-21(13-19)27(28,29)30/h7-13,22,31H,6,14-16H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t22-/m0/s1 | PDB
KEGG
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219857
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-amino-1-ox...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2N)C(F)(F)F)C(N)=O)c(C)c1 Show InChI InChI=1S/C22H26F3N5O3/c1-12-6-7-14(13(2)8-12)9-28-10-17(20(27)32)30-18(31)11-29-21(33)15-4-3-5-16(19(15)26)22(23,24)25/h3-8,17,28H,9-11,26H2,1-2H3,(H2,27,32)(H,29,33)(H,30,31)/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219842
((S)-N-(2-(3-(4-bromo-2-methylbenzylamino)-1-(tert-...)Show SMILES Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(c1N)C(F)(F)F)C(=O)NC(C)(C)C Show InChI InChI=1S/C25H31BrF3N5O3/c1-14-10-16(26)9-8-15(14)11-31-12-19(23(37)34-24(2,3)4)33-20(35)13-32-22(36)17-6-5-7-18(21(17)30)25(27,28)29/h5-10,19,31H,11-13,30H2,1-4H3,(H,32,36)(H,33,35)(H,34,37)/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in THP1 cells assessed as inhibition of MCP1-induced Ca2+ flux |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219837
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(ccc2NCc2ccccc2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C33H40F3N5O3/c1-21-11-12-24(22(2)15-21)18-37-19-28(31(44)41-32(3,4)5)40-29(42)20-39-30(43)26-16-25(33(34,35)36)13-14-27(26)38-17-23-9-7-6-8-10-23/h6-16,28,37-38H,17-20H2,1-5H3,(H,39,43)(H,40,42)(H,41,44)/t28-/m0/s1 | PDB
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| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in human PBMCs assessed as inhibition of MCP1-induced chemotaxis |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219886
((S)-N-(2-(3-(4-methoxy-2-methylbenzylamino)-1-(ter...)Show SMILES COc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C26H33F3N4O4/c1-16-11-20(37-5)10-9-18(16)13-30-14-21(24(36)33-25(2,3)4)32-22(34)15-31-23(35)17-7-6-8-19(12-17)26(27,28)29/h6-12,21,30H,13-15H2,1-5H3,(H,31,35)(H,32,34)(H,33,36)/t21-/m0/s1 | PDB
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| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219835
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C26H33F3N4O3/c1-16-9-10-19(17(2)11-16)13-30-14-21(24(36)33-25(3,4)5)32-22(34)15-31-23(35)18-7-6-8-20(12-18)26(27,28)29/h6-12,21,30H,13-15H2,1-5H3,(H,31,35)(H,32,34)(H,33,36)/t21-/m0/s1 | PDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219835
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C26H33F3N4O3/c1-16-9-10-19(17(2)11-16)13-30-14-21(24(36)33-25(3,4)5)32-22(34)15-31-23(35)18-7-6-8-20(12-18)26(27,28)29/h6-12,21,30H,13-15H2,1-5H3,(H,31,35)(H,32,34)(H,33,36)/t21-/m0/s1 | PDB
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| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in THP1 cells assessed as inhibition of MCP1-induced Ca2+ flux |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219851
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C26H34F3N5O3/c1-15-6-7-17(16(2)8-15)12-31-13-21(24(37)34-25(3,4)5)33-22(35)14-32-23(36)18-9-19(26(27,28)29)11-20(30)10-18/h6-11,21,31H,12-14,30H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t21-/m0/s1 | PDB
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| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in THP1 cells assessed as inhibition of MCP1-induced Ca2+ flux |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219866
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-oxo-1-(2,2...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NCC(F)(F)F)c(C)c1 Show InChI InChI=1S/C24H26F6N4O3/c1-14-6-7-17(15(2)8-14)10-31-11-19(22(37)33-13-23(25,26)27)34-20(35)12-32-21(36)16-4-3-5-18(9-16)24(28,29)30/h3-9,19,31H,10-13H2,1-2H3,(H,32,36)(H,33,37)(H,34,35)/t19-/m0/s1 | PDB
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| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219837
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(ccc2NCc2ccccc2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C33H40F3N5O3/c1-21-11-12-24(22(2)15-21)18-37-19-28(31(44)41-32(3,4)5)40-29(42)20-39-30(43)26-16-25(33(34,35)36)13-14-27(26)38-17-23-9-7-6-8-10-23/h6-16,28,37-38H,17-20H2,1-5H3,(H,39,43)(H,40,42)(H,41,44)/t28-/m0/s1 | PDB
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| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in THP1 cells assessed as inhibition of MCP1-induced Ca2+ flux |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219847
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES CCNc1cc(cc(c1)C(F)(F)F)C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C Show InChI InChI=1S/C28H38F3N5O3/c1-7-33-22-12-20(11-21(13-22)28(29,30)31)25(38)34-16-24(37)35-23(26(39)36-27(4,5)6)15-32-14-19-9-8-17(2)10-18(19)3/h8-13,23,32-33H,7,14-16H2,1-6H3,(H,34,38)(H,35,37)(H,36,39)/t23-/m0/s1 | PDB
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| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in THP1 cells assessed as inhibition of MCP1-induced Ca2+ flux |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219850
((S)-1-(2-((2-(3-(2,4-dimethylbenzylamino)-1-(tert-...)Show SMILES CC(C)NC(=O)Nc1ccc(cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C)C(F)(F)F Show InChI InChI=1S/C30H41F3N6O4/c1-17(2)36-28(43)38-23-11-10-21(30(31,32)33)13-22(23)26(41)35-16-25(40)37-24(27(42)39-29(5,6)7)15-34-14-20-9-8-18(3)12-19(20)4/h8-13,17,24,34H,14-16H2,1-7H3,(H,35,41)(H,37,40)(H,39,42)(H2,36,38,43)/t24-/m0/s1 | PDB
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| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in THP1 cells assessed as inhibition of MCP1-induced Ca2+ flux |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219885
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(cycloprop...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NCC2CC2)c(C)c1 Show InChI InChI=1S/C26H31F3N4O3/c1-16-6-9-20(17(2)10-16)13-30-14-22(25(36)31-12-18-7-8-18)33-23(34)15-32-24(35)19-4-3-5-21(11-19)26(27,28)29/h3-6,9-11,18,22,30H,7-8,12-15H2,1-2H3,(H,31,36)(H,32,35)(H,33,34)/t22-/m0/s1 | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219889
((S)-isopropyl 2-((2-(3-(2,4-dimethylbenzylamino)-1...)Show SMILES CC(C)OC(=O)Nc1ccc(cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C)C(F)(F)F Show InChI InChI=1S/C30H40F3N5O5/c1-17(2)43-28(42)37-23-11-10-21(30(31,32)33)13-22(23)26(40)35-16-25(39)36-24(27(41)38-29(5,6)7)15-34-14-20-9-8-18(3)12-19(20)4/h8-13,17,24,34H,14-16H2,1-7H3,(H,35,40)(H,36,39)(H,37,42)(H,38,41)/t24-/m0/s1 | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219894
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C27H33F5N4O3/c1-16-9-10-19(17(2)11-16)13-33-14-21(24(39)36-25(3,4)5)35-22(37)15-34-23(38)18-7-6-8-20(12-18)26(28,29)27(30,31)32/h6-12,21,33H,13-15H2,1-5H3,(H,34,38)(H,35,37)(H,36,39)/t21-/m0/s1 | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219898
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-amino-1-ox...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(N)=O)c(C)c1 Show InChI InChI=1S/C22H25F3N4O3/c1-13-6-7-16(14(2)8-13)10-27-11-18(20(26)31)29-19(30)12-28-21(32)15-4-3-5-17(9-15)22(23,24)25/h3-9,18,27H,10-12H2,1-2H3,(H2,26,31)(H,28,32)(H,29,30)/t18-/m0/s1 | PDB
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| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219898
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-amino-1-ox...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(N)=O)c(C)c1 Show InChI InChI=1S/C22H25F3N4O3/c1-13-6-7-16(14(2)8-13)10-27-11-18(20(26)31)29-19(30)12-28-21(32)15-4-3-5-17(9-15)22(23,24)25/h3-9,18,27H,10-12H2,1-2H3,(H2,26,31)(H,28,32)(H,29,30)/t18-/m0/s1 | PDB
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| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in THP1 cells assessed as inhibition of MCP1-induced Ca2+ flux |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219857
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-amino-1-ox...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2N)C(F)(F)F)C(N)=O)c(C)c1 Show InChI InChI=1S/C22H26F3N5O3/c1-12-6-7-14(13(2)8-12)9-28-10-17(20(27)32)30-18(31)11-29-21(33)15-4-3-5-16(19(15)26)22(23,24)25/h3-8,17,28H,9-11,26H2,1-2H3,(H2,27,32)(H,29,33)(H,30,31)/t17-/m0/s1 | PDB
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| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in THP1 cells assessed as inhibition of MCP1-induced Ca2+ flux |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219840
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES CCNc1ccc(cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C)C(F)(F)F Show InChI InChI=1S/C28H38F3N5O3/c1-7-33-22-11-10-20(28(29,30)31)13-21(22)25(38)34-16-24(37)35-23(26(39)36-27(4,5)6)15-32-14-19-9-8-17(2)12-18(19)3/h8-13,23,32-33H,7,14-16H2,1-6H3,(H,34,38)(H,35,37)(H,36,39)/t23-/m0/s1 | PDB
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| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in THP1 cells assessed as inhibition of MCP1-induced Ca2+ flux |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219852
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(cycloprop...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC2CC2)c(C)c1 Show InChI InChI=1S/C25H29F3N4O3/c1-15-6-7-18(16(2)10-15)12-29-13-21(24(35)31-20-8-9-20)32-22(33)14-30-23(34)17-4-3-5-19(11-17)25(26,27)28/h3-7,10-11,20-21,29H,8-9,12-14H2,1-2H3,(H,30,34)(H,31,35)(H,32,33)/t21-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219896
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(ccc2NC(=O)C2CCCCC2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C33H44F3N5O4/c1-20-11-12-23(21(2)15-20)17-37-18-27(31(45)41-32(3,4)5)39-28(42)19-38-30(44)25-16-24(33(34,35)36)13-14-26(25)40-29(43)22-9-7-6-8-10-22/h11-16,22,27,37H,6-10,17-19H2,1-5H3,(H,38,44)(H,39,42)(H,40,43)(H,41,45)/t27-/m0/s1 | PDB
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PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219899
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(cyclobuty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC2CCC2)c(C)c1 Show InChI InChI=1S/C26H31F3N4O3/c1-16-9-10-19(17(2)11-16)13-30-14-22(25(36)32-21-7-4-8-21)33-23(34)15-31-24(35)18-5-3-6-20(12-18)26(27,28)29/h3,5-6,9-12,21-22,30H,4,7-8,13-15H2,1-2H3,(H,31,35)(H,32,36)(H,33,34)/t22-/m0/s1 | PDB
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PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219855
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(cyclopent...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC2CCCC2)c(C)c1 Show InChI InChI=1S/C27H33F3N4O3/c1-17-10-11-20(18(2)12-17)14-31-15-23(26(37)33-22-8-3-4-9-22)34-24(35)16-32-25(36)19-6-5-7-21(13-19)27(28,29)30/h5-7,10-13,22-23,31H,3-4,8-9,14-16H2,1-2H3,(H,32,36)(H,33,37)(H,34,35)/t23-/m0/s1 | PDB
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PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219891
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(1-methylc...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC2(C)CC2)c(C)c1 Show InChI InChI=1S/C26H31F3N4O3/c1-16-7-8-19(17(2)11-16)13-30-14-21(24(36)33-25(3)9-10-25)32-22(34)15-31-23(35)18-5-4-6-20(12-18)26(27,28)29/h4-8,11-12,21,30H,9-10,13-15H2,1-3H3,(H,31,35)(H,32,34)(H,33,36)/t21-/m0/s1 | PDB
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PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219840
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES CCNc1ccc(cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C)C(F)(F)F Show InChI InChI=1S/C28H38F3N5O3/c1-7-33-22-11-10-20(28(29,30)31)13-21(22)25(38)34-16-24(37)35-23(26(39)36-27(4,5)6)15-32-14-19-9-8-17(2)12-18(19)3/h8-13,23,32-33H,7,14-16H2,1-6H3,(H,34,38)(H,35,37)(H,36,39)/t23-/m0/s1 | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in human PBMCs assessed as inhibition of MCP1-induced chemotaxis |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219836
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(ethylamin...)Show SMILES CCNC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H29F3N4O3/c1-4-29-23(34)20(13-28-12-18-9-8-15(2)10-16(18)3)31-21(32)14-30-22(33)17-6-5-7-19(11-17)24(25,26)27/h5-11,20,28H,4,12-14H2,1-3H3,(H,29,34)(H,30,33)(H,31,32)/t20-/m0/s1 | PDB
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PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219892
((R)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C26H33F3N4O3/c1-16-9-10-19(17(2)11-16)13-30-14-21(24(36)33-25(3,4)5)32-22(34)15-31-23(35)18-7-6-8-20(12-18)26(27,28)29/h6-12,21,30H,13-15H2,1-5H3,(H,31,35)(H,32,34)(H,33,36)/t21-/m1/s1 | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219869
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(NCc3ccccc3)cc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C33H40F3N5O3/c1-21-11-12-24(22(2)13-21)18-37-19-28(31(44)41-32(3,4)5)40-29(42)20-39-30(43)25-14-26(33(34,35)36)16-27(15-25)38-17-23-9-7-6-8-10-23/h6-16,28,37-38H,17-20H2,1-5H3,(H,39,43)(H,40,42)(H,41,44)/t28-/m0/s1 | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219849
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(methoxy(m...)Show SMILES CON(C)C(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H29F3N4O4/c1-15-8-9-18(16(2)10-15)12-28-13-20(23(34)31(3)35-4)30-21(32)14-29-22(33)17-6-5-7-19(11-17)24(25,26)27/h5-11,20,28H,12-14H2,1-4H3,(H,29,33)(H,30,32)/t20-/m0/s1 | PDB
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PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219904
((S)-N-(2-(3-(3-amino-4-methylbenzylamino)-1-(tert-...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)cc1N Show InChI InChI=1S/C25H32F3N5O3/c1-15-8-9-16(10-19(15)29)12-30-13-20(23(36)33-24(2,3)4)32-21(34)14-31-22(35)17-6-5-7-18(11-17)25(26,27)28/h5-11,20,30H,12-14,29H2,1-4H3,(H,31,35)(H,32,34)(H,33,36)/t20-/m0/s1 | PDB
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PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219859
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(isobutyla...)Show SMILES CC(C)CNC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H33F3N4O3/c1-16(2)12-31-25(36)22(14-30-13-20-9-8-17(3)10-18(20)4)33-23(34)15-32-24(35)19-6-5-7-21(11-19)26(27,28)29/h5-11,16,22,30H,12-15H2,1-4H3,(H,31,36)(H,32,35)(H,33,34)/t22-/m0/s1 | PDB
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PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219844
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-oxo-1-(ter...)Show SMILES CCC(C)(C)NC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H35F3N4O3/c1-6-26(4,5)34-25(37)22(15-31-14-20-11-10-17(2)12-18(20)3)33-23(35)16-32-24(36)19-8-7-9-21(13-19)27(28,29)30/h7-13,22,31H,6,14-16H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t22-/m0/s1 | PDB
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PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219877
(CHEMBL246221 | N-(2-((2S,3R)-3-(2,4-dimethylbenzyl...)Show SMILES CCNC(=O)[C@@H](NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H](C)NCc1ccc(C)cc1C Show InChI InChI=1S/C25H31F3N4O3/c1-5-29-24(35)22(17(4)30-13-19-10-9-15(2)11-16(19)3)32-21(33)14-31-23(34)18-7-6-8-20(12-18)25(26,27)28/h6-12,17,22,30H,5,13-14H2,1-4H3,(H,29,35)(H,31,34)(H,32,33)/t17-,22+/m1/s1 | PDB
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PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219864
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES CC(C)CNc1cc(cc(c1)C(F)(F)F)C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C Show InChI InChI=1S/C30H42F3N5O3/c1-18(2)14-35-24-12-22(11-23(13-24)30(31,32)33)27(40)36-17-26(39)37-25(28(41)38-29(5,6)7)16-34-15-21-9-8-19(3)10-20(21)4/h8-13,18,25,34-35H,14-17H2,1-7H3,(H,36,40)(H,37,39)(H,38,41)/t25-/m0/s1 | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219848
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(SC(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C26H33F3N4O3S/c1-16-9-10-19(17(2)11-16)13-30-14-21(24(36)33-25(3,4)5)32-22(34)15-31-23(35)18-7-6-8-20(12-18)37-26(27,28)29/h6-12,21,30H,13-15H2,1-5H3,(H,31,35)(H,32,34)(H,33,36)/t21-/m0/s1 | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219842
((S)-N-(2-(3-(4-bromo-2-methylbenzylamino)-1-(tert-...)Show SMILES Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(c1N)C(F)(F)F)C(=O)NC(C)(C)C Show InChI InChI=1S/C25H31BrF3N5O3/c1-14-10-16(26)9-8-15(14)11-31-12-19(23(37)34-24(2,3)4)33-20(35)13-32-22(36)17-6-5-7-18(21(17)30)25(27,28)29/h5-10,19,31H,11-13,30H2,1-4H3,(H,32,36)(H,33,35)(H,34,37)/t19-/m0/s1 | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in human PBMCs assessed as inhibition of MCP1-induced chemotaxis |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219875
((S)-N-(2-(4-((2,4-dimethylbenzyl)(methyl)amino)-1-...)Show SMILES CCNC(=O)[C@H](CCN(C)Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H33F3N4O3/c1-5-30-25(36)22(11-12-33(4)16-20-10-9-17(2)13-18(20)3)32-23(34)15-31-24(35)19-7-6-8-21(14-19)26(27,28)29/h6-10,13-14,22H,5,11-12,15-16H2,1-4H3,(H,30,36)(H,31,35)(H,32,34)/t22-/m0/s1 | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219884
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(cyclohexy...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC2CCCCC2)c(C)c1 Show InChI InChI=1S/C28H35F3N4O3/c1-18-11-12-21(19(2)13-18)15-32-16-24(27(38)34-23-9-4-3-5-10-23)35-25(36)17-33-26(37)20-7-6-8-22(14-20)28(29,30)31/h6-8,11-14,23-24,32H,3-5,9-10,15-17H2,1-2H3,(H,33,37)(H,34,38)(H,35,36)/t24-/m0/s1 | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219876
((S)-N-(2-(3-(4-bromo-2-methylbenzylamino)-1-(tert-...)Show SMILES Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)C(=O)NC(C)(C)C Show InChI InChI=1S/C25H30BrF3N4O3/c1-15-10-19(26)9-8-17(15)12-30-13-20(23(36)33-24(2,3)4)32-21(34)14-31-22(35)16-6-5-7-18(11-16)25(27,28)29/h5-11,20,30H,12-14H2,1-4H3,(H,31,35)(H,32,34)(H,33,36)/t20-/m0/s1 | PDB
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UniChem
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| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219902
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(isopropyl...)Show SMILES CC(C)NC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H31F3N4O3/c1-15(2)31-24(35)21(13-29-12-19-9-8-16(3)10-17(19)4)32-22(33)14-30-23(34)18-6-5-7-20(11-18)25(26,27)28/h5-11,15,21,29H,12-14H2,1-4H3,(H,30,34)(H,31,35)(H,32,33)/t21-/m0/s1 | PDB
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PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219873
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(1-hydroxy...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)CO)c(C)c1 Show InChI InChI=1S/C26H33F3N4O4/c1-16-8-9-19(17(2)10-16)12-30-13-21(24(37)33-25(3,4)15-34)32-22(35)14-31-23(36)18-6-5-7-20(11-18)26(27,28)29/h5-11,21,30,34H,12-15H2,1-4H3,(H,31,36)(H,32,35)(H,33,37)/t21-/m0/s1 | PDB
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| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219847
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES CCNc1cc(cc(c1)C(F)(F)F)C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C Show InChI InChI=1S/C28H38F3N5O3/c1-7-33-22-12-20(11-21(13-22)28(29,30)31)25(38)34-16-24(37)35-23(26(39)36-27(4,5)6)15-32-14-19-9-8-17(2)10-18(19)3/h8-13,23,32-33H,7,14-16H2,1-6H3,(H,34,38)(H,35,37)(H,36,39)/t23-/m0/s1 | PDB
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| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in human PBMCs assessed as inhibition of MCP1-induced chemotaxis |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219903
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(OC(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C26H33F3N4O4/c1-16-9-10-19(17(2)11-16)13-30-14-21(24(36)33-25(3,4)5)32-22(34)15-31-23(35)18-7-6-8-20(12-18)37-26(27,28)29/h6-12,21,30H,13-15H2,1-5H3,(H,31,35)(H,32,34)(H,33,36)/t21-/m0/s1 | PDB
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| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219853
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(allylamin...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NCC=C)c(C)c1 Show InChI InChI=1S/C25H29F3N4O3/c1-4-10-30-24(35)21(14-29-13-19-9-8-16(2)11-17(19)3)32-22(33)15-31-23(34)18-6-5-7-20(12-18)25(26,27)28/h4-9,11-12,21,29H,1,10,13-15H2,2-3H3,(H,30,35)(H,31,34)(H,32,33)/t21-/m0/s1 | PDB
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PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219881
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(methylami...)Show SMILES CNC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H27F3N4O3/c1-14-7-8-17(15(2)9-14)11-28-12-19(22(33)27-3)30-20(31)13-29-21(32)16-5-4-6-18(10-16)23(24,25)26/h4-10,19,28H,11-13H2,1-3H3,(H,27,33)(H,29,32)(H,30,31)/t19-/m0/s1 | PDB
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| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219850
((S)-1-(2-((2-(3-(2,4-dimethylbenzylamino)-1-(tert-...)Show SMILES CC(C)NC(=O)Nc1ccc(cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C)C(F)(F)F Show InChI InChI=1S/C30H41F3N6O4/c1-17(2)36-28(43)38-23-11-10-21(30(31,32)33)13-22(23)26(41)35-16-25(40)37-24(27(42)39-29(5,6)7)15-34-14-20-9-8-18(3)12-19(20)4/h8-13,17,24,34H,14-16H2,1-7H3,(H,35,41)(H,37,40)(H,39,42)(H2,36,38,43)/t24-/m0/s1 | PDB
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| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in human PBMCs assessed as inhibition of MCP1-induced chemotaxis |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219888
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(dimethyla...)Show SMILES CN(C)C(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H29F3N4O3/c1-15-8-9-18(16(2)10-15)12-28-13-20(23(34)31(3)4)30-21(32)14-29-22(33)17-6-5-7-19(11-17)24(25,26)27/h5-11,20,28H,12-14H2,1-4H3,(H,29,33)(H,30,32)/t20-/m0/s1 | PDB
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PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219846
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-oxo-1-(pyr...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)N2CCCC2)c(C)c1 Show InChI InChI=1S/C26H31F3N4O3/c1-17-8-9-20(18(2)12-17)14-30-15-22(25(36)33-10-3-4-11-33)32-23(34)16-31-24(35)19-6-5-7-21(13-19)26(27,28)29/h5-9,12-13,22,30H,3-4,10-11,14-16H2,1-2H3,(H,31,35)(H,32,34)/t22-/m0/s1 | PDB
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PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219862
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C26H34F3N5O3/c1-15-6-7-17(16(2)10-15)12-31-13-21(24(37)34-25(3,4)5)33-22(35)14-32-23(36)19-11-18(26(27,28)29)8-9-20(19)30/h6-11,21,31H,12-14,30H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t21-/m0/s1 | PDB
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PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in human PBMCs assessed as inhibition of MCP1-induced chemotaxis |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219867
((S)-ethyl 3-((2-(3-(2,4-dimethylbenzylamino)-1-(te...)Show SMILES CCOC(=O)Nc1cc(cc(c1)C(F)(F)F)C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C Show InChI InChI=1S/C29H38F3N5O5/c1-7-42-27(41)35-22-12-20(11-21(13-22)29(30,31)32)25(39)34-16-24(38)36-23(26(40)37-28(4,5)6)15-33-14-19-9-8-17(2)10-18(19)3/h8-13,23,33H,7,14-16H2,1-6H3,(H,34,39)(H,35,41)(H,36,38)(H,37,40)/t23-/m0/s1 | PDB
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PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219878
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-hydroxypro...)Show SMILES Cc1ccc(CNC[C@@H](CO)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)c(C)c1 Show InChI InChI=1S/C22H26F3N3O3/c1-14-6-7-17(15(2)8-14)10-26-11-19(13-29)28-20(30)12-27-21(31)16-4-3-5-18(9-16)22(23,24)25/h3-9,19,26,29H,10-13H2,1-2H3,(H,27,31)(H,28,30)/t19-/m0/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219857
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-amino-1-ox...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2N)C(F)(F)F)C(N)=O)c(C)c1 Show InChI InChI=1S/C22H26F3N5O3/c1-12-6-7-14(13(2)8-12)9-28-10-17(20(27)32)30-18(31)11-29-21(33)15-4-3-5-16(19(15)26)22(23,24)25/h3-8,17,28H,9-11,26H2,1-2H3,(H2,27,32)(H,29,33)(H,30,31)/t17-/m0/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in human PBMCs assessed as inhibition of MCP1-induced chemotaxis |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219868
((S)-N-(2-(3-(2-ethylbenzylamino)-1-(tert-butylamin...)Show SMILES CCc1ccccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)C(=O)NC(C)(C)C Show InChI InChI=1S/C26H33F3N4O3/c1-5-17-9-6-7-10-19(17)14-30-15-21(24(36)33-25(2,3)4)32-22(34)16-31-23(35)18-11-8-12-20(13-18)26(27,28)29/h6-13,21,30H,5,14-16H2,1-4H3,(H,31,35)(H,32,34)(H,33,36)/t21-/m0/s1 | PDB
KEGG
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UniChem
Similars
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PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219897
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C26H34F2N4O3/c1-16-9-10-20(17(2)11-16)13-29-14-21(25(35)32-26(3,4)5)31-22(33)15-30-24(34)19-8-6-7-18(12-19)23(27)28/h6-12,21,23,29H,13-15H2,1-5H3,(H,30,34)(H,31,33)(H,32,35)/t21-/m0/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219905
(CHEMBL246401 | N-{[(S)-1-tert-butylcarbamoyl-2-(2-...)Show SMILES Cc1ccccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)C(=O)NC(C)(C)C Show InChI InChI=1S/C25H31F3N4O3/c1-16-8-5-6-9-18(16)13-29-14-20(23(35)32-24(2,3)4)31-21(33)15-30-22(34)17-10-7-11-19(12-17)25(26,27)28/h5-12,20,29H,13-15H2,1-4H3,(H,30,34)(H,31,33)(H,32,35)/t20-/m0/s1 | PDB
KEGG
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UniChem
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PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219906
((S)-N-(2-(4-(2,4-dimethylbenzylamino)-1-(ethylamin...)Show SMILES CCNC(=O)[C@H](CCNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H31F3N4O3/c1-4-30-24(35)21(10-11-29-14-19-9-8-16(2)12-17(19)3)32-22(33)15-31-23(34)18-6-5-7-20(13-18)25(26,27)28/h5-9,12-13,21,29H,4,10-11,14-15H2,1-3H3,(H,30,35)(H,31,34)(H,32,33)/t21-/m0/s1 | PDB
KEGG
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UniChem
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PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219861
((S)-N-(2-(3-(4-(dimethylamino)benzylamino)-1-(tert...)Show SMILES CN(C)c1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)cc1 Show InChI InChI=1S/C26H34F3N5O3/c1-25(2,3)33-24(37)21(15-30-14-17-9-11-20(12-10-17)34(4)5)32-22(35)16-31-23(36)18-7-6-8-19(13-18)26(27,28)29/h6-13,21,30H,14-16H2,1-5H3,(H,31,36)(H,32,35)(H,33,37)/t21-/m0/s1 | PDB
KEGG
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UniChem
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PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219883
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-morpholino...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)N2CCOCC2)c(C)c1 Show InChI InChI=1S/C26H31F3N4O4/c1-17-6-7-20(18(2)12-17)14-30-15-22(25(36)33-8-10-37-11-9-33)32-23(34)16-31-24(35)19-4-3-5-21(13-19)26(27,28)29/h3-7,12-13,22,30H,8-11,14-16H2,1-2H3,(H,31,35)(H,32,34)/t22-/m0/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219854
((S)-N-(2-(3-(4-ethylbenzylamino)-1-(tert-butylamin...)Show SMILES CCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)cc1 Show InChI InChI=1S/C26H33F3N4O3/c1-5-17-9-11-18(12-10-17)14-30-15-21(24(36)33-25(2,3)4)32-22(34)16-31-23(35)19-7-6-8-20(13-19)26(27,28)29/h6-13,21,30H,5,14-16H2,1-4H3,(H,31,35)(H,32,34)(H,33,36)/t21-/m0/s1 | PDB
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PC sid
UniChem
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PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219874
((R)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(ethylamin...)Show SMILES CCNC(=O)[C@@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H29F3N4O3/c1-4-29-23(34)20(13-28-12-18-9-8-15(2)10-16(18)3)31-21(32)14-30-22(33)17-6-5-7-19(11-17)24(25,26)27/h5-11,20,28H,4,12-14H2,1-3H3,(H,29,34)(H,30,33)(H,31,32)/t20-/m1/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219839
((R)-N-(2-(3-(2,4-dimethylbenzylamino)-1-amino-1-ox...)Show SMILES Cc1ccc(CNC[C@@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(N)=O)c(C)c1 Show InChI InChI=1S/C22H25F3N4O3/c1-13-6-7-16(14(2)8-13)10-27-11-18(20(26)31)29-19(30)12-28-21(32)15-4-3-5-17(9-15)22(23,24)25/h3-9,18,27H,10-12H2,1-2H3,(H2,26,31)(H,28,32)(H,29,30)/t18-/m1/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219910
((S)-N-(2-(3-(4-methyl-3-nitrobenzylamino)-1-(tert-...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)cc1[N+]([O-])=O Show InChI InChI=1S/C25H30F3N5O5/c1-15-8-9-16(10-20(15)33(37)38)12-29-13-19(23(36)32-24(2,3)4)31-21(34)14-30-22(35)17-6-5-7-18(11-17)25(26,27)28/h5-11,19,29H,12-14H2,1-4H3,(H,30,35)(H,31,34)(H,32,36)/t19-/m0/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219871
((S)-N-(2-(3-(4-methoxy-2,3-dimethylbenzylamino)-1-...)Show SMILES COc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1C Show InChI InChI=1S/C27H35F3N4O4/c1-16-17(2)22(38-6)11-10-19(16)13-31-14-21(25(37)34-26(3,4)5)33-23(35)15-32-24(36)18-8-7-9-20(12-18)27(28,29)30/h7-12,21,31H,13-15H2,1-6H3,(H,32,36)(H,33,35)(H,34,37)/t21-/m0/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219851
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C26H34F3N5O3/c1-15-6-7-17(16(2)8-15)12-31-13-21(24(37)34-25(3,4)5)33-22(35)14-32-23(36)18-9-19(26(27,28)29)11-20(30)10-18/h6-11,21,31H,12-14,30H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t21-/m0/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in human PBMCs assessed as inhibition of MCP1-induced chemotaxis |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50219862
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C26H34F3N5O3/c1-15-6-7-17(16(2)10-15)12-31-13-21(24(37)34-25(3,4)5)33-22(35)14-32-23(36)19-11-18(26(27,28)29)8-9-20(19)30/h6-11,21,31H,12-14,30H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t21-/m0/s1 | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]Eotaxin from human CCR3 expressed in CHO cells |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219900
(CHEMBL246400 | N-{[(S)-1-tert-butylcarbamoyl-2-(4-...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)cc1 Show InChI InChI=1S/C25H31F3N4O3/c1-16-8-10-17(11-9-16)13-29-14-20(23(35)32-24(2,3)4)31-21(33)15-30-22(34)18-6-5-7-19(12-18)25(26,27)28/h5-12,20,29H,13-15H2,1-4H3,(H,30,34)(H,31,33)(H,32,35)/t20-/m0/s1 | PDB
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219872
((S)-N-(2-(4-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNCC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C27H35F3N4O3/c1-17-9-10-20(18(2)13-17)15-31-12-11-22(25(37)34-26(3,4)5)33-23(35)16-32-24(36)19-7-6-8-21(14-19)27(28,29)30/h6-10,13-14,22,31H,11-12,15-16H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t22-/m0/s1 | PDB
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219841
((S)-N-(2-(3-(4-cyano-2-methylbenzylamino)-1-(tert-...)Show SMILES Cc1cc(ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)C(=O)NC(C)(C)C)C#N Show InChI InChI=1S/C26H30F3N5O3/c1-16-10-17(12-30)8-9-19(16)13-31-14-21(24(37)34-25(2,3)4)33-22(35)15-32-23(36)18-6-5-7-20(11-18)26(27,28)29/h5-11,21,31H,13-15H2,1-4H3,(H,32,36)(H,33,35)(H,34,37)/t21-/m0/s1 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219858
((R)-methyl 3-(2,4-dimethylbenzylamino)-2-(2-(3-(tr...)Show SMILES COC(=O)[C@@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H26F3N3O4/c1-14-7-8-17(15(2)9-14)11-27-12-19(22(32)33-3)29-20(30)13-28-21(31)16-5-4-6-18(10-16)23(24,25)26/h4-10,19,27H,11-13H2,1-3H3,(H,28,31)(H,29,30)/t19-/m1/s1 | PDB
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219893
((S)-N-(2-(3-(4-methoxybenzylamino)-1-(tert-butylam...)Show SMILES COc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)cc1 Show InChI InChI=1S/C25H31F3N4O4/c1-24(2,3)32-23(35)20(14-29-13-16-8-10-19(36-4)11-9-16)31-21(33)15-30-22(34)17-6-5-7-18(12-17)25(26,27)28/h5-12,20,29H,13-15H2,1-4H3,(H,30,34)(H,31,33)(H,32,35)/t20-/m0/s1 | PDB
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219890
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-oxo-1-(phe...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)Nc2ccccc2)c(C)c1 Show InChI InChI=1S/C28H29F3N4O3/c1-18-11-12-21(19(2)13-18)15-32-16-24(27(38)34-23-9-4-3-5-10-23)35-25(36)17-33-26(37)20-7-6-8-22(14-20)28(29,30)31/h3-14,24,32H,15-17H2,1-2H3,(H,33,37)(H,34,38)(H,35,36)/t24-/m0/s1 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219908
((S)-N-(2-(3-(4-methoxy-2,5-dimethylbenzylamino)-1-...)Show SMILES COc1cc(C)c(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)cc1C Show InChI InChI=1S/C27H35F3N4O4/c1-16-11-22(38-6)17(2)10-19(16)13-31-14-21(25(37)34-26(3,4)5)33-23(35)15-32-24(36)18-8-7-9-20(12-18)27(28,29)30/h7-12,21,31H,13-15H2,1-6H3,(H,32,36)(H,33,35)(H,34,37)/t21-/m0/s1 | PDB
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PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50219842
((S)-N-(2-(3-(4-bromo-2-methylbenzylamino)-1-(tert-...)Show SMILES Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(c1N)C(F)(F)F)C(=O)NC(C)(C)C Show InChI InChI=1S/C25H31BrF3N5O3/c1-14-10-16(26)9-8-15(14)11-31-12-19(23(37)34-24(2,3)4)33-20(35)13-32-22(36)17-6-5-7-18(21(17)30)25(27,28)29/h5-10,19,31H,11-13,30H2,1-4H3,(H,32,36)(H,33,35)(H,34,37)/t19-/m0/s1 | PDB
Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]Eotaxin from human CCR3 expressed in CHO cells |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219898
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-amino-1-ox...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(N)=O)c(C)c1 Show InChI InChI=1S/C22H25F3N4O3/c1-13-6-7-16(14(2)8-13)10-27-11-18(20(26)31)29-19(30)12-28-21(32)15-4-3-5-17(9-15)22(23,24)25/h3-9,18,27H,10-12H2,1-2H3,(H2,26,31)(H,28,32)(H,29,30)/t18-/m0/s1 | PDB
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PubMed
| n/a | n/a | >1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in human PBMCs assessed as inhibition of MCP1-induced chemotaxis |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219845
((S)-methyl 3-(2,4-dimethylbenzylamino)-2-(2-(3-(tr...)Show SMILES COC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H26F3N3O4/c1-14-7-8-17(15(2)9-14)11-27-12-19(22(32)33-3)29-20(30)13-28-21(31)16-5-4-6-18(10-16)23(24,25)26/h4-10,19,27H,11-13H2,1-3H3,(H,28,31)(H,29,30)/t19-/m0/s1 | PDB
KEGG
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UniChem
Similars
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PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219895
((S)-N-(2-(3-(4-bromobenzylamino)-1-(tert-butylamin...)Show SMILES CC(C)(C)NC(=O)[C@H](CNCc1ccc(Br)cc1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H28BrF3N4O3/c1-23(2,3)32-22(35)19(13-29-12-15-7-9-18(25)10-8-15)31-20(33)14-30-21(34)16-5-4-6-17(11-16)24(26,27)28/h4-11,19,29H,12-14H2,1-3H3,(H,30,34)(H,31,33)(H,32,35)/t19-/m0/s1 | PDB
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219887
((R)-N-(2-(3-(2,4-dimethylbenzylamino)-1-hydroxypro...)Show SMILES Cc1ccc(CNC[C@H](CO)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)c(C)c1 Show InChI InChI=1S/C22H26F3N3O3/c1-14-6-7-17(15(2)8-14)10-26-11-19(13-29)28-20(30)12-27-21(31)16-4-3-5-18(9-16)22(23,24)25/h3-9,19,26,29H,10-13H2,1-2H3,(H,27,31)(H,28,30)/t19-/m1/s1 | PDB
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UniChem
Similars
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PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219835
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C26H33F3N4O3/c1-16-9-10-19(17(2)11-16)13-30-14-21(24(36)33-25(3,4)5)32-22(34)15-31-23(35)18-7-6-8-20(12-18)26(27,28)29/h6-12,21,30H,13-15H2,1-5H3,(H,31,35)(H,32,34)(H,33,36)/t21-/m0/s1 | PDB
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| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in human PBMCs assessed as inhibition of MCP1-induced chemotaxis |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219879
((S)-N-(2-(4-(2,4-dimethylbenzylamino)-1-amino-1-ox...)Show SMILES Cc1ccc(CNCC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(N)=O)c(C)c1 Show InChI InChI=1S/C23H27F3N4O3/c1-14-6-7-17(15(2)10-14)12-28-9-8-19(21(27)32)30-20(31)13-29-22(33)16-4-3-5-18(11-16)23(24,25)26/h3-7,10-11,19,28H,8-9,12-13H2,1-2H3,(H2,27,32)(H,29,33)(H,30,31)/t19-/m0/s1 | PDB
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| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219901
((S)-3-(2,4-dimethylbenzylamino)-2-(2-(3-(trifluoro...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(O)=O)c(C)c1 Show InChI InChI=1S/C22H24F3N3O4/c1-13-6-7-16(14(2)8-13)10-26-11-18(21(31)32)28-19(29)12-27-20(30)15-4-3-5-17(9-15)22(23,24)25/h3-9,18,26H,10-12H2,1-2H3,(H,27,30)(H,28,29)(H,31,32)/t18-/m0/s1 | PDB
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PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219860
((S)-N-(2-(3-(4-butylbenzylamino)-1-(tert-butylamin...)Show SMILES CCCCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)cc1 Show InChI InChI=1S/C28H37F3N4O3/c1-5-6-8-19-11-13-20(14-12-19)16-32-17-23(26(38)35-27(2,3)4)34-24(36)18-33-25(37)21-9-7-10-22(15-21)28(29,30)31/h7,9-15,23,32H,5-6,8,16-18H2,1-4H3,(H,33,37)(H,34,36)(H,35,38)/t23-/m0/s1 | PDB
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| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219863
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(benzylami...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NCc2ccccc2)c(C)c1 Show InChI InChI=1S/C29H31F3N4O3/c1-19-11-12-23(20(2)13-19)16-33-17-25(28(39)34-15-21-7-4-3-5-8-21)36-26(37)18-35-27(38)22-9-6-10-24(14-22)29(30,31)32/h3-14,25,33H,15-18H2,1-2H3,(H,34,39)(H,35,38)(H,36,37)/t25-/m0/s1 | PDB
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PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219856
((S)-N-(2-(3-(4-(methylsulfonyl)benzylamino)-1-(ter...)Show SMILES CC(C)(C)NC(=O)[C@H](CNCc1ccc(cc1)S(C)(=O)=O)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H31F3N4O5S/c1-24(2,3)32-23(35)20(14-29-13-16-8-10-19(11-9-16)38(4,36)37)31-21(33)15-30-22(34)17-6-5-7-18(12-17)25(26,27)28/h5-12,20,29H,13-15H2,1-4H3,(H,30,34)(H,31,33)(H,32,35)/t20-/m0/s1 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219909
(CHEMBL400968 | N-(2-(3-(2,4-dimethylbenzylamino)-1...)Show SMILES CCNC(=O)C(C)(CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(ccc1N)C(F)(F)F |w:5.5| Show InChI InChI=1S/C25H32F3N5O3/c1-5-31-23(36)24(4,14-30-12-17-7-6-15(2)10-16(17)3)33-21(34)13-32-22(35)19-11-18(25(26,27)28)8-9-20(19)29/h6-11,30H,5,12-14,29H2,1-4H3,(H,31,36)(H,32,35)(H,33,34) | PDB
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| n/a | n/a | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50219850
((S)-1-(2-((2-(3-(2,4-dimethylbenzylamino)-1-(tert-...)Show SMILES CC(C)NC(=O)Nc1ccc(cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C)C(F)(F)F Show InChI InChI=1S/C30H41F3N6O4/c1-17(2)36-28(43)38-23-11-10-21(30(31,32)33)13-22(23)26(41)35-16-25(40)37-24(27(42)39-29(5,6)7)15-34-14-20-9-8-18(3)12-19(20)4/h8-13,17,24,34H,14-16H2,1-7H3,(H,35,41)(H,37,40)(H,39,42)(H2,36,38,43)/t24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]Eotaxin from human CCR3 expressed in CHO cells |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50219851
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C26H34F3N5O3/c1-15-6-7-17(16(2)8-15)12-31-13-21(24(37)34-25(3,4)5)33-22(35)14-32-23(36)18-9-19(26(27,28)29)11-20(30)10-18/h6-11,21,31H,12-14,30H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]Eotaxin from human CCR3 expressed in CHO cells |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50219835
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C26H33F3N4O3/c1-16-9-10-19(17(2)11-16)13-30-14-21(24(36)33-25(3,4)5)32-22(34)15-31-23(35)18-7-6-8-20(12-18)26(27,28)29/h6-12,21,30H,13-15H2,1-5H3,(H,31,35)(H,32,34)(H,33,36)/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]Eotaxin from human CCR3 expressed in CHO cells |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50219847
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES CCNc1cc(cc(c1)C(F)(F)F)C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C Show InChI InChI=1S/C28H38F3N5O3/c1-7-33-22-12-20(11-21(13-22)28(29,30)31)25(38)34-16-24(37)35-23(26(39)36-27(4,5)6)15-32-14-19-9-8-17(2)10-18(19)3/h8-13,23,32-33H,7,14-16H2,1-6H3,(H,34,38)(H,35,37)(H,36,39)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]Eotaxin from human CCR3 expressed in CHO cells |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50219898
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-amino-1-ox...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(N)=O)c(C)c1 Show InChI InChI=1S/C22H25F3N4O3/c1-13-6-7-16(14(2)8-13)10-27-11-18(20(26)31)29-19(30)12-28-21(32)15-4-3-5-17(9-15)22(23,24)25/h3-9,18,27H,10-12H2,1-2H3,(H2,26,31)(H,28,32)(H,29,30)/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]Eotaxin from human CCR3 expressed in CHO cells |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50219857
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-amino-1-ox...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2N)C(F)(F)F)C(N)=O)c(C)c1 Show InChI InChI=1S/C22H26F3N5O3/c1-12-6-7-14(13(2)8-12)9-28-10-17(20(27)32)30-18(31)11-29-21(33)15-4-3-5-16(19(15)26)22(23,24)25/h3-8,17,28H,9-11,26H2,1-2H3,(H2,27,32)(H,29,33)(H,30,31)/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]Eotaxin from human CCR3 expressed in CHO cells |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50219837
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(ccc2NCc2ccccc2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C33H40F3N5O3/c1-21-11-12-24(22(2)15-21)18-37-19-28(31(44)41-32(3,4)5)40-29(42)20-39-30(43)26-16-25(33(34,35)36)13-14-27(26)38-17-23-9-7-6-8-10-23/h6-16,28,37-38H,17-20H2,1-5H3,(H,39,43)(H,40,42)(H,41,44)/t28-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]Eotaxin from human CCR3 expressed in CHO cells |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50219840
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)Show SMILES CCNc1ccc(cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C)C(F)(F)F Show InChI InChI=1S/C28H38F3N5O3/c1-7-33-22-11-10-20(28(29,30)31)13-21(22)25(38)34-16-24(37)35-23(26(39)36-27(4,5)6)15-32-14-19-9-8-17(2)12-18(19)3/h8-13,23,32-33H,7,14-16H2,1-6H3,(H,34,38)(H,35,37)(H,36,39)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]Eotaxin from human CCR3 expressed in CHO cells |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219870
((R)-methyl 2-(2,4-dimethylbenzylamino)-3-(2-(3-(tr...)Show SMILES COC(=O)[C@@H](CNC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)NCc1ccc(C)cc1C Show InChI InChI=1S/C23H26F3N3O4/c1-14-7-8-17(15(2)9-14)11-27-19(22(32)33-3)12-28-20(30)13-29-21(31)16-5-4-6-18(10-16)23(24,25)26/h4-10,19,27H,11-13H2,1-3H3,(H,28,30)(H,29,31)/t19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50219880
((R)-N-(2-(2-(2,4-dimethylbenzylamino)-3-(ethylamin...)Show SMILES CCNC(=O)[C@@H](CNC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)NCc1ccc(C)cc1C Show InChI InChI=1S/C24H29F3N4O3/c1-4-28-23(34)20(29-12-18-9-8-15(2)10-16(18)3)13-30-21(32)14-31-22(33)17-6-5-7-19(11-17)24(25,26)27/h5-11,20,29H,4,12-14H2,1-3H3,(H,28,34)(H,30,32)(H,31,33)/t20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs |
Bioorg Med Chem Lett 17: 5455-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN |
More data for this
Ligand-Target Pair | |
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