Found 54 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)) | BDBM50446850
(CHEMBL3115109)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)OCCNC(C)=O |r| Show InChI InChI=1S/C28H38F3N5O6/c1-17(37)32-5-8-42-26(39)36-14-20-10-21(34-23-4-7-41-15-24(23)40-2)11-27(20,16-36)25(38)35-6-3-22-18(13-35)9-19(12-33-22)28(29,30)31/h9,12,20-21,23-24,34H,3-8,10-11,13-16H2,1-2H3,(H,32,37)/t20-,21+,23?,24?,27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446854
(CHEMBL3115105)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)OCC(C)C |r| Show InChI InChI=1S/C28H39F3N4O5/c1-17(2)14-40-26(37)35-13-20-9-21(33-23-5-7-39-15-24(23)38-3)10-27(20,16-35)25(36)34-6-4-22-18(12-34)8-19(11-32-22)28(29,30)31/h8,11,17,20-21,23-24,33H,4-7,9-10,12-16H2,1-3H3/t20-,21+,23?,24?,27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446863
(CHEMBL3115096)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(N)=O |r| Show InChI InChI=1S/C24H32F3N5O4/c1-35-20-12-36-5-3-19(20)30-17-7-16-11-32(22(28)34)13-23(16,8-17)21(33)31-4-2-18-14(10-31)6-15(9-29-18)24(25,26)27/h6,9,16-17,19-20,30H,2-5,7-8,10-13H2,1H3,(H2,28,34)/t16-,17+,19?,20?,23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446849
(CHEMBL3115110)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)OCCN1CCCC1 |r| Show InChI InChI=1S/C30H42F3N5O5/c1-41-26-18-42-10-5-25(26)35-23-13-22-17-38(28(40)43-11-9-36-6-2-3-7-36)19-29(22,14-23)27(39)37-8-4-24-20(16-37)12-21(15-34-24)30(31,32)33/h12,15,22-23,25-26,35H,2-11,13-14,16-19H2,1H3/t22-,23+,25?,26?,29-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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 |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446859
(CHEMBL3115100)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(N)=NC#N |r,w:35.40| Show InChI InChI=1S/C25H32F3N7O3/c1-37-21-12-38-5-3-20(21)33-18-7-17-11-35(23(30)32-14-29)13-24(17,8-18)22(36)34-4-2-19-15(10-34)6-16(9-31-19)25(26,27)28/h6,9,17-18,20-21,33H,2-5,7-8,10-13H2,1H3,(H2,30,32)/t17-,18+,20?,21?,24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446867
(CHEMBL3115272)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C32H37F3N4O4/c1-42-28-19-43-12-10-27(28)37-25-14-24-18-39(29(40)8-7-21-5-3-2-4-6-21)20-31(24,15-25)30(41)38-11-9-26-22(17-38)13-23(16-36-26)32(33,34)35/h2-8,13,16,24-25,27-28,37H,9-12,14-15,17-20H2,1H3/b8-7+/t24-,25+,27?,28?,31-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446851
(CHEMBL3115108)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)OCCC1CCOCC1 |r| Show InChI InChI=1S/C31H43F3N4O6/c1-41-27-18-43-10-6-26(27)36-24-13-23-17-38(29(40)44-11-5-20-3-8-42-9-4-20)19-30(23,14-24)28(39)37-7-2-25-21(16-37)12-22(15-35-25)31(32,33)34/h12,15,20,23-24,26-27,36H,2-11,13-14,16-19H2,1H3/t23-,24+,26?,27?,30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446851
(CHEMBL3115108)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)OCCC1CCOCC1 |r| Show InChI InChI=1S/C31H43F3N4O6/c1-41-27-18-43-10-6-26(27)36-24-13-23-17-38(29(40)44-11-5-20-3-8-42-9-4-20)19-30(23,14-24)28(39)37-7-2-25-21(16-37)12-22(15-35-25)31(32,33)34/h12,15,20,23-24,26-27,36H,2-11,13-14,16-19H2,1H3/t23-,24+,26?,27?,30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446852
(CHEMBL3115107)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)OCC1CCOCC1 |r| Show InChI InChI=1S/C30H41F3N4O6/c1-40-26-17-42-9-5-25(26)35-23-11-22-15-37(28(39)43-16-19-3-7-41-8-4-19)18-29(22,12-23)27(38)36-6-2-24-20(14-36)10-21(13-34-24)30(31,32)33/h10,13,19,22-23,25-26,35H,2-9,11-12,14-18H2,1H3/t22-,23+,25?,26?,29-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446867
(CHEMBL3115272)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C32H37F3N4O4/c1-42-28-19-43-12-10-27(28)37-25-14-24-18-39(29(40)8-7-21-5-3-2-4-6-21)20-31(24,15-25)30(41)38-11-9-26-22(17-38)13-23(16-36-26)32(33,34)35/h2-8,13,16,24-25,27-28,37H,9-12,14-15,17-20H2,1H3/b8-7+/t24-,25+,27?,28?,31-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446849
(CHEMBL3115110)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)OCCN1CCCC1 |r| Show InChI InChI=1S/C30H42F3N5O5/c1-41-26-18-42-10-5-25(26)35-23-13-22-17-38(28(40)43-11-9-36-6-2-3-7-36)19-29(22,14-23)27(39)37-8-4-24-20(16-37)12-21(15-34-24)30(31,32)33/h12,15,22-23,25-26,35H,2-11,13-14,16-19H2,1H3/t22-,23+,25?,26?,29-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446854
(CHEMBL3115105)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)OCC(C)C |r| Show InChI InChI=1S/C28H39F3N4O5/c1-17(2)14-40-26(37)35-13-20-9-21(33-23-5-7-39-15-24(23)38-3)10-27(20,16-35)25(36)34-6-4-22-18(12-34)8-19(11-32-22)28(29,30)31/h8,11,17,20-21,23-24,33H,4-7,9-10,12-16H2,1-3H3/t20-,21+,23?,24?,27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446859
(CHEMBL3115100)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(N)=NC#N |r,w:35.40| Show InChI InChI=1S/C25H32F3N7O3/c1-37-21-12-38-5-3-20(21)33-18-7-17-11-35(23(30)32-14-29)13-24(17,8-18)22(36)34-4-2-19-15(10-34)6-16(9-31-19)25(26,27)28/h6,9,17-18,20-21,33H,2-5,7-8,10-13H2,1H3,(H2,30,32)/t17-,18+,20?,21?,24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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 |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446865
(CHEMBL3115274)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)C#CC1CC1 |r| Show InChI InChI=1S/C29H35F3N4O4/c1-39-25-16-40-9-7-24(25)34-22-11-21-15-36(26(37)5-4-18-2-3-18)17-28(21,12-22)27(38)35-8-6-23-19(14-35)10-20(13-33-23)29(30,31)32/h10,13,18,21-22,24-25,34H,2-3,6-9,11-12,14-17H2,1H3/t21-,22+,24?,25?,28-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446848
(CHEMBL3115111)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)OCCN1CCOCC1 |r| Show InChI InChI=1S/C30H42F3N5O6/c1-41-26-18-43-8-3-25(26)35-23-13-22-17-38(28(40)44-11-7-36-5-9-42-10-6-36)19-29(22,14-23)27(39)37-4-2-24-20(16-37)12-21(15-34-24)30(31,32)33/h12,15,22-23,25-26,35H,2-11,13-14,16-19H2,1H3/t22-,23+,25?,26?,29-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446853
(CHEMBL3115106)Show SMILES COCCOC(=O)N1C[C@@H]2C[C@H](C[C@@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)NC1CCOCC1OC |r| Show InChI InChI=1S/C27H37F3N4O6/c1-37-7-8-40-25(36)34-14-19-10-20(32-22-4-6-39-15-23(22)38-2)11-26(19,16-34)24(35)33-5-3-21-17(13-33)9-18(12-31-21)27(28,29)30/h9,12,19-20,22-23,32H,3-8,10-11,13-16H2,1-2H3/t19-,20+,22?,23?,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446850
(CHEMBL3115109)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)OCCNC(C)=O |r| Show InChI InChI=1S/C28H38F3N5O6/c1-17(37)32-5-8-42-26(39)36-14-20-10-21(34-23-4-7-41-15-24(23)40-2)11-27(20,16-36)25(38)35-6-3-22-18(13-35)9-19(12-33-22)28(29,30)31/h9,12,20-21,23-24,34H,3-8,10-11,13-16H2,1-2H3,(H,32,37)/t20-,21+,23?,24?,27-/m0/s1 | PDB
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446860
(CHEMBL3115099)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C31H38F3N5O4/c1-42-27-18-43-10-8-26(27)37-24-12-23-17-39(29(41)36-14-20-5-3-2-4-6-20)19-30(23,13-24)28(40)38-9-7-25-21(16-38)11-22(15-35-25)31(32,33)34/h2-6,11,15,23-24,26-27,37H,7-10,12-14,16-19H2,1H3,(H,36,41)/t23-,24+,26?,27?,30-/m0/s1 | PDB
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| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446855
(CHEMBL3115104)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)OCC(C)(C)C |r| Show InChI InChI=1S/C29H41F3N4O5/c1-27(2,3)17-41-26(38)36-14-20-10-21(34-23-6-8-40-15-24(23)39-4)11-28(20,16-36)25(37)35-7-5-22-18(13-35)9-19(12-33-22)29(30,31)32/h9,12,20-21,23-24,34H,5-8,10-11,13-17H2,1-4H3/t20-,21+,23?,24?,28-/m0/s1 | PDB
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| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446869
(CHEMBL3115268)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C29H35F3N4O3/c1-38-26-17-39-10-8-25(26)34-22-12-21-16-36(23-5-3-2-4-6-23)18-28(21,13-22)27(37)35-9-7-24-19(15-35)11-20(14-33-24)29(30,31)32/h2-6,11,14,21-22,25-26,34H,7-10,12-13,15-18H2,1H3/t21-,22+,25?,26?,28-/m0/s1 | PDB
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| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446863
(CHEMBL3115096)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(N)=O |r| Show InChI InChI=1S/C24H32F3N5O4/c1-35-20-12-36-5-3-19(20)30-17-7-16-11-32(22(28)34)13-23(16,8-17)21(33)31-4-2-18-14(10-31)6-15(9-29-18)24(25,26)27/h6,9,16-17,19-20,30H,2-5,7-8,10-13H2,1H3,(H2,28,34)/t16-,17+,19?,20?,23-/m0/s1 | PDB
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| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446852
(CHEMBL3115107)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)OCC1CCOCC1 |r| Show InChI InChI=1S/C30H41F3N4O6/c1-40-26-17-42-9-5-25(26)35-23-11-22-15-37(28(39)43-16-19-3-7-41-8-4-19)18-29(22,12-23)27(38)36-6-2-24-20(14-36)10-21(13-34-24)30(31,32)33/h10,13,19,22-23,25-26,35H,2-9,11-12,14-18H2,1H3/t22-,23+,25?,26?,29-/m0/s1 | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446866
(CHEMBL3115273)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)\C=C\C(C)(C)C |r| Show InChI InChI=1S/C30H41F3N4O4/c1-28(2,3)8-5-26(38)37-16-21-12-22(35-24-7-10-41-17-25(24)40-4)13-29(21,18-37)27(39)36-9-6-23-19(15-36)11-20(14-34-23)30(31,32)33/h5,8,11,14,21-22,24-25,35H,6-7,9-10,12-13,15-18H2,1-4H3/b8-5+/t21-,22+,24?,25?,29-/m0/s1 | PDB
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| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446858
(CHEMBL3115101)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)OC |r| Show InChI InChI=1S/C25H33F3N4O5/c1-35-21-13-37-6-4-20(21)30-18-8-17-12-32(23(34)36-2)14-24(17,9-18)22(33)31-5-3-19-15(11-31)7-16(10-29-19)25(26,27)28/h7,10,17-18,20-21,30H,3-6,8-9,11-14H2,1-2H3/t17-,18+,20?,21?,24-/m0/s1 | PDB
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| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446862
(CHEMBL3115097)Show SMILES CNC(=O)N1C[C@@H]2C[C@H](C[C@@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)NC1CCOCC1OC |r| Show InChI InChI=1S/C25H34F3N5O4/c1-29-23(35)33-12-17-8-18(31-20-4-6-37-13-21(20)36-2)9-24(17,14-33)22(34)32-5-3-19-15(11-32)7-16(10-30-19)25(26,27)28/h7,10,17-18,20-21,31H,3-6,8-9,11-14H2,1-2H3,(H,29,35)/t17-,18+,20?,21?,24-/m0/s1 | PDB
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| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446862
(CHEMBL3115097)Show SMILES CNC(=O)N1C[C@@H]2C[C@H](C[C@@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)NC1CCOCC1OC |r| Show InChI InChI=1S/C25H34F3N5O4/c1-29-23(35)33-12-17-8-18(31-20-4-6-37-13-21(20)36-2)9-24(17,14-33)22(34)32-5-3-19-15(11-32)7-16(10-30-19)25(26,27)28/h7,10,17-18,20-21,31H,3-6,8-9,11-14H2,1-2H3,(H,29,35)/t17-,18+,20?,21?,24-/m0/s1 | PDB
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| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446861
(CHEMBL3115098)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)NC(C)C |r| Show InChI InChI=1S/C27H38F3N5O4/c1-16(2)32-25(37)35-13-19-9-20(33-22-5-7-39-14-23(22)38-3)10-26(19,15-35)24(36)34-6-4-21-17(12-34)8-18(11-31-21)27(28,29)30/h8,11,16,19-20,22-23,33H,4-7,9-10,12-15H2,1-3H3,(H,32,37)/t19-,20+,22?,23?,26-/m0/s1 | PDB
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| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446853
(CHEMBL3115106)Show SMILES COCCOC(=O)N1C[C@@H]2C[C@H](C[C@@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)NC1CCOCC1OC |r| Show InChI InChI=1S/C27H37F3N4O6/c1-37-7-8-40-25(36)34-14-19-10-20(32-22-4-6-39-15-23(22)38-2)11-26(19,16-34)24(35)33-5-3-21-17(13-33)9-18(12-31-21)27(28,29)30/h9,12,19-20,22-23,32H,3-8,10-11,13-16H2,1-2H3/t19-,20+,22?,23?,26-/m0/s1 | PDB
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| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446865
(CHEMBL3115274)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)C#CC1CC1 |r| Show InChI InChI=1S/C29H35F3N4O4/c1-39-25-16-40-9-7-24(25)34-22-11-21-15-36(26(37)5-4-18-2-3-18)17-28(21,12-22)27(38)35-8-6-23-19(14-35)10-20(13-33-23)29(30,31)32/h10,13,18,21-22,24-25,34H,2-3,6-9,11-12,14-17H2,1H3/t21-,22+,24?,25?,28-/m0/s1 | PDB
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| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446864
(CHEMBL3115275)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)CCc1ccccc1 |r| Show InChI InChI=1S/C32H39F3N4O4/c1-42-28-19-43-12-10-27(28)37-25-14-24-18-39(29(40)8-7-21-5-3-2-4-6-21)20-31(24,15-25)30(41)38-11-9-26-22(17-38)13-23(16-36-26)32(33,34)35/h2-6,13,16,24-25,27-28,37H,7-12,14-15,17-20H2,1H3/t24-,25+,27?,28?,31-/m0/s1 | PDB
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| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446866
(CHEMBL3115273)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)\C=C\C(C)(C)C |r| Show InChI InChI=1S/C30H41F3N4O4/c1-28(2,3)8-5-26(38)37-16-21-12-22(35-24-7-10-41-17-25(24)40-4)13-29(21,18-37)27(39)36-9-6-23-19(15-36)11-20(14-34-23)30(31,32)33/h5,8,11,14,21-22,24-25,35H,6-7,9-10,12-13,15-18H2,1-4H3/b8-5+/t21-,22+,24?,25?,29-/m0/s1 | PDB
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PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446869
(CHEMBL3115268)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C29H35F3N4O3/c1-38-26-17-39-10-8-25(26)34-22-12-21-16-36(23-5-3-2-4-6-23)18-28(21,13-22)27(37)35-9-7-24-19(15-35)11-20(14-33-24)29(30,31)32/h2-6,11,14,21-22,25-26,34H,7-10,12-13,15-18H2,1H3/t21-,22+,25?,26?,28-/m0/s1 | PDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446848
(CHEMBL3115111)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)OCCN1CCOCC1 |r| Show InChI InChI=1S/C30H42F3N5O6/c1-41-26-18-43-8-3-25(26)35-23-13-22-17-38(28(40)44-11-7-36-5-9-42-10-6-36)19-29(22,14-23)27(39)37-4-2-24-20(16-37)12-21(15-34-24)30(31,32)33/h12,15,22-23,25-26,35H,2-11,13-14,16-19H2,1H3/t22-,23+,25?,26?,29-/m0/s1 | PDB
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| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446855
(CHEMBL3115104)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)OCC(C)(C)C |r| Show InChI InChI=1S/C29H41F3N4O5/c1-27(2,3)17-41-26(38)36-14-20-10-21(34-23-6-8-40-15-24(23)39-4)11-28(20,16-36)25(37)35-7-5-22-18(13-35)9-19(12-33-22)29(30,31)32/h9,12,20-21,23-24,34H,5-8,10-11,13-17H2,1-4H3/t20-,21+,23?,24?,28-/m0/s1 | PDB
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| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446864
(CHEMBL3115275)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)CCc1ccccc1 |r| Show InChI InChI=1S/C32H39F3N4O4/c1-42-28-19-43-12-10-27(28)37-25-14-24-18-39(29(40)8-7-21-5-3-2-4-6-21)20-31(24,15-25)30(41)38-11-9-26-22(17-38)13-23(16-36-26)32(33,34)35/h2-6,13,16,24-25,27-28,37H,7-12,14-15,17-20H2,1H3/t24-,25+,27?,28?,31-/m0/s1 | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446856
(CHEMBL3115103)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H37F3N4O5/c1-41-27-18-42-10-8-26(27)36-24-12-23-16-38(29(40)43-17-20-5-3-2-4-6-20)19-30(23,13-24)28(39)37-9-7-25-21(15-37)11-22(14-35-25)31(32,33)34/h2-6,11,14,23-24,26-27,36H,7-10,12-13,15-19H2,1H3/t23-,24+,26?,27?,30-/m0/s1 | PDB
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| n/a | n/a | 118 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446874
(CHEMBL3115267)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C1COC1 |r| Show InChI InChI=1S/C26H35F3N4O4/c1-35-23-14-36-5-3-22(23)31-19-7-18-11-33(20-12-37-13-20)15-25(18,8-19)24(34)32-4-2-21-16(10-32)6-17(9-30-21)26(27,28)29/h6,9,18-20,22-23,31H,2-5,7-8,10-15H2,1H3/t18-,19+,22?,23?,25-/m0/s1 | PDB
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| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446873
(CHEMBL3115269)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)c1nccs1 |r| Show InChI InChI=1S/C26H32F3N5O3S/c1-36-22-14-37-6-3-21(22)32-19-9-18-13-34(24-30-4-7-38-24)15-25(18,10-19)23(35)33-5-2-20-16(12-33)8-17(11-31-20)26(27,28)29/h4,7-8,11,18-19,21-22,32H,2-3,5-6,9-10,12-15H2,1H3/t18-,19+,21?,22?,25-/m0/s1 | PDB
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| n/a | n/a | 152 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446875
(CHEMBL3115116)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C26H35F3N4O3/c1-35-23-14-36-7-5-22(23)31-19-9-18-13-33(20-2-3-20)15-25(18,10-19)24(34)32-6-4-21-16(12-32)8-17(11-30-21)26(27,28)29/h8,11,18-20,22-23,31H,2-7,9-10,12-15H2,1H3/t18-,19+,22?,23?,25-/m0/s1 | PDB
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446856
(CHEMBL3115103)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H37F3N4O5/c1-41-27-18-42-10-8-26(27)36-24-12-23-16-38(29(40)43-17-20-5-3-2-4-6-20)19-30(23,13-24)28(39)37-9-7-25-21(15-37)11-22(14-35-25)31(32,33)34/h2-6,11,14,23-24,26-27,36H,7-10,12-13,15-19H2,1H3/t23-,24+,26?,27?,30-/m0/s1 | PDB
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| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446860
(CHEMBL3115099)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C31H38F3N5O4/c1-42-27-18-43-10-8-26(27)37-24-12-23-17-39(29(41)36-14-20-5-3-2-4-6-20)19-30(23,13-24)28(40)38-9-7-25-21(16-38)11-22(15-35-25)31(32,33)34/h2-6,11,15,23-24,26-27,37H,7-10,12-14,16-19H2,1H3,(H,36,41)/t23-,24+,26?,27?,30-/m0/s1 | PDB
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| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446868
(CHEMBL3115271)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(C)=O |r| Show InChI InChI=1S/C25H33F3N4O4/c1-15(33)32-12-18-8-19(30-21-4-6-36-13-22(21)35-2)9-24(18,14-32)23(34)31-5-3-20-16(11-31)7-17(10-29-20)25(26,27)28/h7,10,18-19,21-22,30H,3-6,8-9,11-14H2,1-2H3/t18-,19+,21?,22?,24-/m0/s1 | PDB
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PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446870
(CHEMBL3115113)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C)C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F |r| Show InChI InChI=1S/C24H33F3N4O3/c1-30-12-17-8-18(29-20-4-6-34-13-21(20)33-2)9-23(17,14-30)22(32)31-5-3-19-15(11-31)7-16(10-28-19)24(25,26)27/h7,10,17-18,20-21,29H,3-6,8-9,11-14H2,1-2H3/t17-,18+,20?,21?,23-/m0/s1 | PDB
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PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446870
(CHEMBL3115113)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C)C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F |r| Show InChI InChI=1S/C24H33F3N4O3/c1-30-12-17-8-18(29-20-4-6-34-13-21(20)33-2)9-23(17,14-30)22(32)31-5-3-19-15(11-31)7-16(10-28-19)24(25,26)27/h7,10,17-18,20-21,29H,3-6,8-9,11-14H2,1-2H3/t17-,18+,20?,21?,23-/m0/s1 | PDB
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| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446868
(CHEMBL3115271)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(C)=O |r| Show InChI InChI=1S/C25H33F3N4O4/c1-15(33)32-12-18-8-19(30-21-4-6-36-13-22(21)35-2)9-24(18,14-32)23(34)31-5-3-20-16(11-31)7-17(10-29-20)25(26,27)28/h7,10,18-19,21-22,30H,3-6,8-9,11-14H2,1-2H3/t18-,19+,21?,22?,24-/m0/s1 | PDB
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PubMed
| n/a | n/a | 395 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446861
(CHEMBL3115098)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)NC(C)C |r| Show InChI InChI=1S/C27H38F3N5O4/c1-16(2)32-25(37)35-13-19-9-20(33-22-5-7-39-14-23(22)38-3)10-26(19,15-35)24(36)34-6-4-21-17(12-34)8-18(11-31-21)27(28,29)30/h8,11,16,19-20,22-23,33H,4-7,9-10,12-15H2,1-3H3,(H,32,37)/t19-,20+,22?,23?,26-/m0/s1 | PDB
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| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446858
(CHEMBL3115101)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)OC |r| Show InChI InChI=1S/C25H33F3N4O5/c1-35-21-13-37-6-4-20(21)30-18-8-17-12-32(23(34)36-2)14-24(17,9-18)22(33)31-5-3-19-15(11-31)7-16(10-29-19)25(26,27)28/h7,10,17-18,20-21,30H,3-6,8-9,11-14H2,1-2H3/t17-,18+,20?,21?,24-/m0/s1 | PDB
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PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446857
(CHEMBL3115102)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)Oc1ccccc1 |r| Show InChI InChI=1S/C30H35F3N4O5/c1-40-26-17-41-10-8-25(26)35-22-12-21-16-37(28(39)42-23-5-3-2-4-6-23)18-29(21,13-22)27(38)36-9-7-24-19(15-36)11-20(14-34-24)30(31,32)33/h2-6,11,14,21-22,25-26,35H,7-10,12-13,15-18H2,1H3/t21-,22+,25?,26?,29-/m0/s1 | PDB
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PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446877
(CHEMBL3115114)Show SMILES CCN1C[C@@H]2C[C@H](C[C@@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)NC1CCOCC1OC |r| Show InChI InChI=1S/C25H35F3N4O3/c1-3-31-13-18-9-19(30-21-5-7-35-14-22(21)34-2)10-24(18,15-31)23(33)32-6-4-20-16(12-32)8-17(11-29-20)25(26,27)28/h8,11,18-19,21-22,30H,3-7,9-10,12-15H2,1-2H3/t18-,19+,21?,22?,24-/m0/s1 | PDB
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 629 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446871
(CHEMBL3115112)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CNC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F |r| Show InChI InChI=1S/C23H31F3N4O3/c1-32-20-12-33-5-3-19(20)29-17-7-15-9-27-13-22(15,8-17)21(31)30-4-2-18-14(11-30)6-16(10-28-18)23(24,25)26/h6,10,15,17,19-20,27,29H,2-5,7-9,11-13H2,1H3/t15-,17+,19?,20?,22-/m0/s1 | PDB
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UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446871
(CHEMBL3115112)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CNC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F |r| Show InChI InChI=1S/C23H31F3N4O3/c1-32-20-12-33-5-3-19(20)29-17-7-15-9-27-13-22(15,8-17)21(31)30-4-2-18-14(11-30)6-16(10-28-18)23(24,25)26/h6,10,15,17,19-20,27,29H,2-5,7-9,11-13H2,1H3/t15-,17+,19?,20?,22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446857
(CHEMBL3115102)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)Oc1ccccc1 |r| Show InChI InChI=1S/C30H35F3N4O5/c1-40-26-17-41-10-8-25(26)35-22-12-21-16-37(28(39)42-23-5-3-2-4-6-23)18-29(21,13-22)27(38)36-9-7-24-19(15-36)11-20(14-34-24)30(31,32)33/h2-6,11,14,21-22,25-26,35H,7-10,12-13,15-18H2,1H3/t21-,22+,25?,26?,29-/m0/s1 | PDB
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UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446876
(CHEMBL3115115)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(C)C |r| Show InChI InChI=1S/C26H37F3N4O3/c1-16(2)33-13-19-9-20(31-22-5-7-36-14-23(22)35-3)10-25(19,15-33)24(34)32-6-4-21-17(12-32)8-18(11-30-21)26(27,28)29/h8,11,16,19-20,22-23,31H,4-7,9-10,12-15H2,1-3H3/t19-,20+,22?,23?,25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446872
(CHEMBL3115270)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)c1ncccn1 |r| Show InChI InChI=1S/C27H33F3N6O3/c1-38-23-15-39-8-4-22(23)34-20-10-19-14-36(25-31-5-2-6-32-25)16-26(19,11-20)24(37)35-7-3-21-17(13-35)9-18(12-33-21)27(28,29)30/h2,5-6,9,12,19-20,22-23,34H,3-4,7-8,10-11,13-16H2,1H3/t19-,20+,22?,23?,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
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