Found 81 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)) | BDBM50337608
(CHEMBL1683063 | cis-((1S,3R)-3-(3-ethyl-tetrahydro...)Show SMILES CC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H40F3N3O2/c1-4-20-18-35-15-9-24(20)31-22-8-10-26(17-22,19(2)3)25(34)33-13-11-32(12-14-33)23-7-5-6-21(16-23)27(28,29)30/h5-7,16,19-20,22,24,31H,4,8-15,17-18H2,1-3H3/t20-,22-,24+,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 30 mins |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337604
(CHEMBL1683059 | Cis-((1S,3R)-1-isopropyl-3-(3-meth...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)N[C@H]1CCOC[C@H]1C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H38F3N3O2/c1-18(2)25(9-7-21(16-25)30-23-8-14-34-17-19(23)3)24(33)32-12-10-31(11-13-32)22-6-4-5-20(15-22)26(27,28)29/h4-6,15,18-19,21,23,30H,7-14,16-17H2,1-3H3/t19-,21-,23+,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 30 mins |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50337619
(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C25H37F3N4O3/c1-17(2)24(7-4-19(15-24)30-20-6-13-35-16-21(20)34-3)23(33)32-11-9-31(10-12-32)22-14-18(5-8-29-22)25(26,27)28/h5,8,14,17,19-21,30H,4,6-7,9-13,15-16H2,1-3H3/t19-,20+,21-,24+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to mouse CCR2 |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Rattus norvegicus) | BDBM50337619
(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C25H37F3N4O3/c1-17(2)24(7-4-19(15-24)30-20-6-13-35-16-21(20)34-3)23(33)32-11-9-31(10-12-32)22-14-18(5-8-29-22)25(26,27)28/h5,8,14,17,19-21,30H,4,6-7,9-13,15-16H2,1-3H3/t19-,20+,21-,24+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to rat CCR2 |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337619
(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C25H37F3N4O3/c1-17(2)24(7-4-19(15-24)30-20-6-13-35-16-21(20)34-3)23(33)32-11-9-31(10-12-32)22-14-18(5-8-29-22)25(26,27)28/h5,8,14,17,19-21,30H,4,6-7,9-13,15-16H2,1-3H3/t19-,20+,21-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337604
(CHEMBL1683059 | Cis-((1S,3R)-1-isopropyl-3-(3-meth...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)N[C@H]1CCOC[C@H]1C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H38F3N3O2/c1-18(2)25(9-7-21(16-25)30-23-8-14-34-17-19(23)3)24(33)32-12-10-31(11-13-32)22-6-4-5-20(15-22)26(27,28)29/h4-6,15,18-19,21,23,30H,7-14,16-17H2,1-3H3/t19-,21-,23+,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337634
(((1S,3R)-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](CC(F)(F)F)(C1)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C24H32F6N4O3/c1-36-19-14-37-11-4-18(19)32-17-2-5-22(13-17,15-23(25,26)27)21(35)34-9-7-33(8-10-34)20-12-16(3-6-31-20)24(28,29)30/h3,6,12,17-19,32H,2,4-5,7-11,13-15H2,1H3/t17-,18+,19-,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of MCP-Alexa 488 from CCR2 in human whole blood after 5 mins by flow cytometry |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337619
(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C25H37F3N4O3/c1-17(2)24(7-4-19(15-24)30-20-6-13-35-16-21(20)34-3)23(33)32-11-9-31(10-12-32)22-14-18(5-8-29-22)25(26,27)28/h5,8,14,17,19-21,30H,4,6-7,9-13,15-16H2,1-3H3/t19-,20+,21-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 30 mins |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337634
(((1S,3R)-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](CC(F)(F)F)(C1)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C24H32F6N4O3/c1-36-19-14-37-11-4-18(19)32-17-2-5-22(13-17,15-23(25,26)27)21(35)34-9-7-33(8-10-34)20-12-16(3-6-31-20)24(28,29)30/h3,6,12,17-19,32H,2,4-5,7-11,13-15H2,1H3/t17-,18+,19-,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337619
(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C25H37F3N4O3/c1-17(2)24(7-4-19(15-24)30-20-6-13-35-16-21(20)34-3)23(33)32-11-9-31(10-12-32)22-14-18(5-8-29-22)25(26,27)28/h5,8,14,17,19-21,30H,4,6-7,9-13,15-16H2,1-3H3/t19-,20+,21-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of MCP-Alexa 488 from CCR2 in human whole blood after 5 mins by flow cytometry |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50337619
(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C25H37F3N4O3/c1-17(2)24(7-4-19(15-24)30-20-6-13-35-16-21(20)34-3)23(33)32-11-9-31(10-12-32)22-14-18(5-8-29-22)25(26,27)28/h5,8,14,17,19-21,30H,4,6-7,9-13,15-16H2,1-3H3/t19-,20+,21-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of labeled MIP-1beta from human CCR5 receptor |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337608
(CHEMBL1683063 | cis-((1S,3R)-3-(3-ethyl-tetrahydro...)Show SMILES CC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H40F3N3O2/c1-4-20-18-35-15-9-24(20)31-22-8-10-26(17-22,19(2)3)25(34)33-13-11-32(12-14-33)23-7-5-6-21(16-23)27(28,29)30/h5-7,16,19-20,22,24,31H,4,8-15,17-18H2,1-3H3/t20-,22-,24+,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50337619
(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C25H37F3N4O3/c1-17(2)24(7-4-19(15-24)30-20-6-13-35-16-21(20)34-3)23(33)32-11-9-31(10-12-32)22-14-18(5-8-29-22)25(26,27)28/h5,8,14,17,19-21,30H,4,6-7,9-13,15-16H2,1-3H3/t19-,20+,21-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of labeled MIP-1beta from human CCR5 receptor |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337612
(CHEMBL1683067 | cis-((1S,3R)-1-isopropyl-3-((3S,4S...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H38F3N3O3/c1-18(2)25(9-7-20(16-25)30-22-8-14-35-17-23(22)34-3)24(33)32-12-10-31(11-13-32)21-6-4-5-19(15-21)26(27,28)29/h4-6,15,18,20,22-23,30H,7-14,16-17H2,1-3H3/t20-,22+,23-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337605
(CHEMBL1683060 | Cis-((1S,3R)-1-isopropyl-3-(3-meth...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)N[C@@H]1CCOC[C@@H]1C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H38F3N3O2/c1-18(2)25(9-7-21(16-25)30-23-8-14-34-17-19(23)3)24(33)32-12-10-31(11-13-32)22-6-4-5-20(15-22)26(27,28)29/h4-6,15,18-19,21,23,30H,7-14,16-17H2,1-3H3/t19-,21+,23+,25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 30 mins |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337618
(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahyd...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C25H37F3N4O3/c1-17(2)24(9-7-18(15-24)29-19-8-14-35-16-20(19)34-3)23(33)32-12-10-31(11-13-32)22-6-4-5-21(30-22)25(26,27)28/h4-6,17-20,29H,7-16H2,1-3H3/t18-,19+,20-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 30 mins |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337618
(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahyd...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C25H37F3N4O3/c1-17(2)24(9-7-18(15-24)29-19-8-14-35-16-20(19)34-3)23(33)32-12-10-31(11-13-32)22-6-4-5-21(30-22)25(26,27)28/h4-6,17-20,29H,7-16H2,1-3H3/t18-,19+,20-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337612
(CHEMBL1683067 | cis-((1S,3R)-1-isopropyl-3-((3S,4S...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H38F3N3O3/c1-18(2)25(9-7-20(16-25)30-22-8-14-35-17-23(22)34-3)24(33)32-12-10-31(11-13-32)21-6-4-5-19(15-21)26(27,28)29/h4-6,15,18,20,22-23,30H,7-14,16-17H2,1-3H3/t20-,22+,23-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 30 mins |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337612
(CHEMBL1683067 | cis-((1S,3R)-1-isopropyl-3-((3S,4S...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H38F3N3O3/c1-18(2)25(9-7-20(16-25)30-22-8-14-35-17-23(22)34-3)24(33)32-12-10-31(11-13-32)21-6-4-5-19(15-21)26(27,28)29/h4-6,15,18,20,22-23,30H,7-14,16-17H2,1-3H3/t20-,22+,23-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of MCP-Alexa 488 from CCR2 in human whole blood after 5 mins by flow cytometry |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50337634
(((1S,3R)-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](CC(F)(F)F)(C1)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C24H32F6N4O3/c1-36-19-14-37-11-4-18(19)32-17-2-5-22(13-17,15-23(25,26)27)21(35)34-9-7-33(8-10-34)20-12-16(3-6-31-20)24(28,29)30/h3,6,12,17-19,32H,2,4-5,7-11,13-15H2,1H3/t17-,18+,19-,22+/m1/s1 | PDB
KEGG
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of labeled MIP-1beta from human CCR5 receptor |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337620
(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahyd...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C24H36F3N5O3/c1-16(2)23(7-4-17(14-23)29-18-6-13-35-15-19(18)34-3)21(33)31-9-11-32(12-10-31)22-28-8-5-20(30-22)24(25,26)27/h5,8,16-19,29H,4,6-7,9-15H2,1-3H3/t17-,18+,19-,23+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 30 mins |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337634
(((1S,3R)-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](CC(F)(F)F)(C1)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C24H32F6N4O3/c1-36-19-14-37-11-4-18(19)32-17-2-5-22(13-17,15-23(25,26)27)21(35)34-9-7-33(8-10-34)20-12-16(3-6-31-20)24(28,29)30/h3,6,12,17-19,32H,2,4-5,7-11,13-15H2,1H3/t17-,18+,19-,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 30 mins |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337622
(((1S,3R)-1-ethyl-3-((3S,4S)-3-methoxy-tetrahydro-2...)Show SMILES CC[C@@]1(CC[C@H](C1)N[C@H]1CCOC[C@H]1OC)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C24H35F3N4O3/c1-3-23(7-4-18(15-23)29-19-6-13-34-16-20(19)33-2)22(32)31-11-9-30(10-12-31)21-14-17(5-8-28-21)24(25,26)27/h5,8,14,18-20,29H,3-4,6-7,9-13,15-16H2,1-2H3/t18-,19+,20-,23+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337605
(CHEMBL1683060 | Cis-((1S,3R)-1-isopropyl-3-(3-meth...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)N[C@@H]1CCOC[C@@H]1C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H38F3N3O2/c1-18(2)25(9-7-21(16-25)30-23-8-14-34-17-19(23)3)24(33)32-12-10-31(11-13-32)22-6-4-5-20(15-22)26(27,28)29/h4-6,15,18-19,21,23,30H,7-14,16-17H2,1-3H3/t19-,21+,23+,25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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 |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50337634
(((1S,3R)-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](CC(F)(F)F)(C1)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C24H32F6N4O3/c1-36-19-14-37-11-4-18(19)32-17-2-5-22(13-17,15-23(25,26)27)21(35)34-9-7-33(8-10-34)20-12-16(3-6-31-20)24(28,29)30/h3,6,12,17-19,32H,2,4-5,7-11,13-15H2,1H3/t17-,18+,19-,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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 |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR5 receptor by chemotaxis assay |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337623
(((1S,3R)-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-...)Show SMILES CCC[C@@]1(CC[C@H](C1)N[C@H]1CCOC[C@H]1OC)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C25H37F3N4O3/c1-3-7-24(8-4-19(16-24)30-20-6-14-35-17-21(20)34-2)23(33)32-12-10-31(11-13-32)22-15-18(5-9-29-22)25(26,27)28/h5,9,15,19-21,30H,3-4,6-8,10-14,16-17H2,1-2H3/t19-,20+,21-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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 |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337620
(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahyd...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C24H36F3N5O3/c1-16(2)23(7-4-17(14-23)29-18-6-13-35-15-19(18)34-3)21(33)31-9-11-32(12-10-31)22-28-8-5-20(30-22)24(25,26)27/h5,8,16-19,29H,4,6-7,9-15H2,1-3H3/t17-,18+,19-,23+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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 |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337609
(CHEMBL1683064 | cis-((1S,3R)-3-(3-ethyl-tetrahydro...)Show SMILES CC[C@H]1COCC[C@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H40F3N3O2/c1-4-20-18-35-15-9-24(20)31-22-8-10-26(17-22,19(2)3)25(34)33-13-11-32(12-14-33)23-7-5-6-21(16-23)27(28,29)30/h5-7,16,19-20,22,24,31H,4,8-15,17-18H2,1-3H3/t20-,22+,24+,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337633
(((1S,3R)-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(O)C(F)(F)F)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C24H32F6N4O4/c1-37-18-14-38-11-4-17(18)32-16-2-5-22(13-16,20(35)24(28,29)30)21(36)34-9-7-33(8-10-34)19-12-15(3-6-31-19)23(25,26)27/h3,6,12,16-18,20,32,35H,2,4-5,7-11,13-14H2,1H3/t16-,17+,18-,20?,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337613
(CHEMBL1683068 | cis-((1S,3R)-1-isopropyl-3-(3-meth...)Show SMILES CO[C@H]1COCC[C@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H38F3N3O3/c1-18(2)25(9-7-20(16-25)30-22-8-14-35-17-23(22)34-3)24(33)32-12-10-31(11-13-32)21-6-4-5-19(15-21)26(27,28)29/h4-6,15,18,20,22-23,30H,7-14,16-17H2,1-3H3/t20-,22-,23+,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337633
(((1S,3R)-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(O)C(F)(F)F)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C24H32F6N4O4/c1-37-18-14-38-11-4-17(18)32-16-2-5-22(13-16,20(35)24(28,29)30)21(36)34-9-7-33(8-10-34)19-12-15(3-6-31-19)23(25,26)27/h3,6,12,16-18,20,32,35H,2,4-5,7-11,13-14H2,1H3/t16-,17+,18-,20?,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337620
(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahyd...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C24H36F3N5O3/c1-16(2)23(7-4-17(14-23)29-18-6-13-35-15-19(18)34-3)21(33)31-9-11-32(12-10-31)22-28-8-5-20(30-22)24(25,26)27/h5,8,16-19,29H,4,6-7,9-15H2,1-3H3/t17-,18+,19-,23+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of MCP-Alexa 488 from CCR2 in human whole blood after 5 mins by flow cytometry |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50337608
(CHEMBL1683063 | cis-((1S,3R)-3-(3-ethyl-tetrahydro...)Show SMILES CC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H40F3N3O2/c1-4-20-18-35-15-9-24(20)31-22-8-10-26(17-22,19(2)3)25(34)33-13-11-32(12-14-33)23-7-5-6-21(16-23)27(28,29)30/h5-7,16,19-20,22,24,31H,4,8-15,17-18H2,1-3H3/t20-,22-,24+,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of labeled MIP-1beta from human CCR5 receptor |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337602
(((1S,3R)-1-isopropyl-3-(tetrahydro-2H-pyran-4-ylam...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C25H36F3N3O2/c1-18(2)24(9-6-21(17-24)29-20-7-14-33-15-8-20)23(32)31-12-10-30(11-13-31)22-5-3-4-19(16-22)25(26,27)28/h3-5,16,18,20-21,29H,6-15,17H2,1-2H3/t21-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337632
(((1R,3R)-1-(3-fluoropropyl)-3-((3S,4S)-3-methoxy-t...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](CCCF)(C1)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C25H36F4N4O3/c1-35-21-17-36-14-5-20(21)31-19-3-7-24(16-19,6-2-8-26)23(34)33-12-10-32(11-13-33)22-15-18(4-9-30-22)25(27,28)29/h4,9,15,19-21,31H,2-3,5-8,10-14,16-17H2,1H3/t19-,20+,21-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337626
(((1S,3R)-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-...)Show SMILES COC[C@@]1(CC[C@H](C1)N[C@H]1CCOC[C@H]1OC)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C24H35F3N4O4/c1-33-16-23(6-3-18(14-23)29-19-5-12-35-15-20(19)34-2)22(32)31-10-8-30(9-11-31)21-13-17(4-7-28-21)24(25,26)27/h4,7,13,18-20,29H,3,5-6,8-12,14-16H2,1-2H3/t18-,19+,20-,23+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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 |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337624
(((1S,3R)-1-sec-butyl-3-((3S,4S)-3-methoxy-tetrahyd...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](CC(C)C)(C1)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C26H39F3N4O3/c1-18(2)15-25(7-4-20(16-25)31-21-6-13-36-17-22(21)35-3)24(34)33-11-9-32(10-12-33)23-14-19(5-8-30-23)26(27,28)29/h5,8,14,18,20-22,31H,4,6-7,9-13,15-17H2,1-3H3/t20-,21+,22-,25-/m1/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 |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50337614
(CHEMBL1683069 | cis-((1S,3R)-3-(3-ethoxy-tetrahydr...)Show SMILES CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H40F3N3O3/c1-4-36-24-18-35-15-9-23(24)31-21-8-10-26(17-21,19(2)3)25(34)33-13-11-32(12-14-33)22-7-5-6-20(16-22)27(28,29)30/h5-7,16,19,21,23-24,31H,4,8-15,17-18H2,1-3H3/t21-,23+,24-,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of labeled MIP-1beta from human CCR5 receptor |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50337612
(CHEMBL1683067 | cis-((1S,3R)-1-isopropyl-3-((3S,4S...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H38F3N3O3/c1-18(2)25(9-7-20(16-25)30-22-8-14-35-17-23(22)34-3)24(33)32-12-10-31(11-13-32)21-6-4-5-19(15-21)26(27,28)29/h4-6,15,18,20,22-23,30H,7-14,16-17H2,1-3H3/t20-,22+,23-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of labeled MIP-1beta from human CCR5 receptor |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50337618
(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahyd...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C25H37F3N4O3/c1-17(2)24(9-7-18(15-24)29-19-8-14-35-16-20(19)34-3)23(33)32-12-10-31(11-13-32)22-6-4-5-21(30-22)25(26,27)28/h4-6,17-20,29H,7-16H2,1-3H3/t18-,19+,20-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of labeled MIP-1beta from human CCR5 receptor |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337606
(CHEMBL1683061 | trans-((1S,3R)-1-isopropyl-3-(3-me...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)N[C@H]1CCOC[C@@H]1C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H38F3N3O2/c1-18(2)25(9-7-21(16-25)30-23-8-14-34-17-19(23)3)24(33)32-12-10-31(11-13-32)22-6-4-5-20(15-22)26(27,28)29/h4-6,15,18-19,21,23,30H,7-14,16-17H2,1-3H3/t19-,21+,23-,25-/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 |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337625
(((1R,3R)-1-(cyclopropylmethyl)-3-((3S,4S)-3-methox...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](CC2CC2)(C1)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C26H37F3N4O3/c1-35-22-17-36-13-6-21(22)31-20-4-7-25(16-20,15-18-2-3-18)24(34)33-11-9-32(10-12-33)23-14-19(5-8-30-23)26(27,28)29/h5,8,14,18,20-22,31H,2-4,6-7,9-13,15-17H2,1H3/t20-,21+,22-,25-/m1/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 |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337622
(((1S,3R)-1-ethyl-3-((3S,4S)-3-methoxy-tetrahydro-2...)Show SMILES CC[C@@]1(CC[C@H](C1)N[C@H]1CCOC[C@H]1OC)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C24H35F3N4O3/c1-3-23(7-4-18(15-23)29-19-6-13-34-16-20(19)33-2)22(32)31-11-9-30(10-12-31)21-14-17(5-8-28-21)24(25,26)27/h5,8,14,18-20,29H,3-4,6-7,9-13,15-16H2,1-2H3/t18-,19+,20-,23+/m1/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 |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337627
(((1S,3R)-1-(ethoxymethyl)-3-((3S,4S)-3-methoxy-tet...)Show SMILES CCOC[C@@]1(CC[C@H](C1)N[C@H]1CCOC[C@H]1OC)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C25H37F3N4O4/c1-3-35-17-24(7-4-19(15-24)30-20-6-13-36-16-21(20)34-2)23(33)32-11-9-31(10-12-32)22-14-18(5-8-29-22)25(26,27)28/h5,8,14,19-21,30H,3-4,6-7,9-13,15-17H2,1-2H3/t19-,20+,21-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50337620
(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahyd...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C24H36F3N5O3/c1-16(2)23(7-4-17(14-23)29-18-6-13-35-15-19(18)34-3)21(33)31-9-11-32(12-10-31)22-28-8-5-20(30-22)24(25,26)27/h5,8,16-19,29H,4,6-7,9-15H2,1-3H3/t17-,18+,19-,23+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of labeled MIP-1beta from human CCR5 receptor |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337616
(CHEMBL1683071 | cis-((1S,3R)-1-isopropyl-3-(3-(met...)Show SMILES COC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H40F3N3O3/c1-19(2)26(9-7-22(16-26)31-24-8-14-36-18-20(24)17-35-3)25(34)33-12-10-32(11-13-33)23-6-4-5-21(15-23)27(28,29)30/h4-6,15,19-20,22,24,31H,7-14,16-18H2,1-3H3/t20-,22-,24+,26+/m1/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 |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337632
(((1R,3R)-1-(3-fluoropropyl)-3-((3S,4S)-3-methoxy-t...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](CCCF)(C1)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C25H36F4N4O3/c1-35-21-17-36-14-5-20(21)31-19-3-7-24(16-19,6-2-8-26)23(34)33-12-10-32(11-13-33)22-15-18(4-9-30-22)25(27,28)29/h4,9,15,19-21,31H,2-3,5-8,10-14,16-17H2,1H3/t19-,20+,21-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337623
(((1S,3R)-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-...)Show SMILES CCC[C@@]1(CC[C@H](C1)N[C@H]1CCOC[C@H]1OC)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C25H37F3N4O3/c1-3-7-24(8-4-19(16-24)30-20-6-14-35-17-21(20)34-2)23(33)32-12-10-31(11-13-32)22-15-18(5-9-29-22)25(26,27)28/h5,9,15,19-21,30H,3-4,6-8,10-14,16-17H2,1-2H3/t19-,20+,21-,24+/m1/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 |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337601
(((1S,3R)-1-isopropyl-3-(tetrahydro-2H-pyran-4-ylam...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1)C(=O)N1CCC(=CC1)c1cccc(c1)C(F)(F)F |r,c:22| Show InChI InChI=1S/C26H35F3N2O2/c1-18(2)25(11-6-23(17-25)30-22-9-14-33-15-10-22)24(32)31-12-7-19(8-13-31)20-4-3-5-21(16-20)26(27,28)29/h3-5,7,16,18,22-23,30H,6,8-15,17H2,1-2H3/t23-,25+/m1/s1 | PDB
KEGG
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| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337614
(CHEMBL1683069 | cis-((1S,3R)-3-(3-ethoxy-tetrahydr...)Show SMILES CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H40F3N3O3/c1-4-36-24-18-35-15-9-23(24)31-21-8-10-26(17-21,19(2)3)25(34)33-13-11-32(12-14-33)22-7-5-6-20(16-22)27(28,29)30/h5-7,16,19,21,23-24,31H,4,8-15,17-18H2,1-3H3/t21-,23+,24-,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337610
(CHEMBL1683065 | trans-((1S,3R)-3-(3-ethyl-tetrahyd...)Show SMILES CC[C@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H40F3N3O2/c1-4-20-18-35-15-9-24(20)31-22-8-10-26(17-22,19(2)3)25(34)33-13-11-32(12-14-33)23-7-5-6-21(16-23)27(28,29)30/h5-7,16,19-20,22,24,31H,4,8-15,17-18H2,1-3H3/t20-,22+,24-,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337617
(CHEMBL1683072 | cis-((1S,3R)-1-isopropyl-3-(3-(met...)Show SMILES COC[C@H]1COCC[C@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H40F3N3O3/c1-19(2)26(9-7-22(16-26)31-24-8-14-36-18-20(24)17-35-3)25(34)33-12-10-32(11-13-33)23-6-4-5-21(15-23)27(28,29)30/h4-6,15,19-20,22,24,31H,7-14,16-18H2,1-3H3/t20-,22+,24+,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337624
(((1S,3R)-1-sec-butyl-3-((3S,4S)-3-methoxy-tetrahyd...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](CC(C)C)(C1)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C26H39F3N4O3/c1-18(2)15-25(7-4-20(16-25)31-21-6-13-36-17-22(21)35-3)24(34)33-11-9-32(10-12-33)23-14-19(5-8-30-23)26(27,28)29/h5,8,14,18,20-22,31H,4,6-7,9-13,15-17H2,1-3H3/t20-,21+,22-,25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337615
(CHEMBL1683070 | cis-((1S,3R)-3-(3-ethoxy-tetrahydr...)Show SMILES CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H40F3N3O3/c1-4-36-24-18-35-15-9-23(24)31-21-8-10-26(17-21,19(2)3)25(34)33-13-11-32(12-14-33)22-7-5-6-20(16-22)27(28,29)30/h5-7,16,19,21,23-24,31H,4,8-15,17-18H2,1-3H3/t21-,23-,24+,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337625
(((1R,3R)-1-(cyclopropylmethyl)-3-((3S,4S)-3-methox...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](CC2CC2)(C1)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C26H37F3N4O3/c1-35-22-17-36-13-6-21(22)31-20-4-7-25(16-20,15-18-2-3-18)24(34)33-11-9-32(10-12-33)23-14-19(5-8-30-23)26(27,28)29/h5,8,14,18,20-22,31H,2-4,6-7,9-13,15-17H2,1H3/t20-,21+,22-,25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Mus musculus) | BDBM50337619
(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C25H37F3N4O3/c1-17(2)24(7-4-19(15-24)30-20-6-13-35-16-21(20)34-3)23(33)32-11-9-31(10-12-32)22-14-18(5-8-29-22)25(26,27)28/h5,8,14,17,19-21,30H,4,6-7,9-13,15-16H2,1-3H3/t19-,20+,21-,24+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to mouse CCR5 |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50337604
(CHEMBL1683059 | Cis-((1S,3R)-1-isopropyl-3-(3-meth...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)N[C@H]1CCOC[C@H]1C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H38F3N3O2/c1-18(2)25(9-7-21(16-25)30-23-8-14-34-17-19(23)3)24(33)32-12-10-31(11-13-32)22-6-4-5-20(15-22)26(27,28)29/h4-6,15,18-19,21,23,30H,7-14,16-17H2,1-3H3/t19-,21-,23+,25+/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of labeled MIP-1beta from human CCR5 receptor |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337618
(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahyd...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C25H37F3N4O3/c1-17(2)24(9-7-18(15-24)29-19-8-14-35-16-20(19)34-3)23(33)32-12-10-31(11-13-32)22-6-4-5-21(30-22)25(26,27)28/h4-6,17-20,29H,7-16H2,1-3H3/t18-,19+,20-,24+/m1/s1 | PDB
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PC sid
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PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of MCP-Alexa 488 from CCR2 in human whole blood after 5 mins by flow cytometry |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50337605
(CHEMBL1683060 | Cis-((1S,3R)-1-isopropyl-3-(3-meth...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)N[C@@H]1CCOC[C@@H]1C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H38F3N3O2/c1-18(2)25(9-7-21(16-25)30-23-8-14-34-17-19(23)3)24(33)32-12-10-31(11-13-32)22-6-4-5-20(15-22)26(27,28)29/h4-6,15,18-19,21,23,30H,7-14,16-17H2,1-3H3/t19-,21+,23+,25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of labeled MIP-1beta from human CCR5 receptor |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337628
(((1S,3R)-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-...)Show SMILES COCC[C@@]1(CC[C@H](C1)N[C@H]1CCOC[C@H]1OC)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C25H37F3N4O4/c1-34-14-7-24(6-3-19(16-24)30-20-5-13-36-17-21(20)35-2)23(33)32-11-9-31(10-12-32)22-15-18(4-8-29-22)25(26,27)28/h4,8,15,19-21,30H,3,5-7,9-14,16-17H2,1-2H3/t19-,20+,21-,24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337607
(CHEMBL1683062 | trans-((1S,3R)-1-isopropyl-3-(3-me...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)N[C@@H]1CCOC[C@H]1C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H38F3N3O2/c1-18(2)25(9-7-21(16-25)30-23-8-14-34-17-19(23)3)24(33)32-12-10-31(11-13-32)22-6-4-5-20(15-22)26(27,28)29/h4-6,15,18-19,21,23,30H,7-14,16-17H2,1-3H3/t19-,21-,23-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50337616
(CHEMBL1683071 | cis-((1S,3R)-1-isopropyl-3-(3-(met...)Show SMILES COC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H40F3N3O3/c1-19(2)26(9-7-22(16-26)31-24-8-14-36-18-20(24)17-35-3)25(34)33-12-10-32(11-13-33)23-6-4-5-21(15-23)27(28,29)30/h4-6,15,19-20,22,24,31H,7-14,16-18H2,1-3H3/t20-,22-,24+,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 201 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of labeled MIP-1beta from human CCR5 receptor |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50337613
(CHEMBL1683068 | cis-((1S,3R)-1-isopropyl-3-(3-meth...)Show SMILES CO[C@H]1COCC[C@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H38F3N3O3/c1-18(2)25(9-7-20(16-25)30-22-8-14-35-17-23(22)34-3)24(33)32-12-10-31(11-13-32)21-6-4-5-19(15-21)26(27,28)29/h4-6,15,18,20,22-23,30H,7-14,16-17H2,1-3H3/t20-,22-,23+,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 204 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of labeled MIP-1beta from human CCR5 receptor |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50337615
(CHEMBL1683070 | cis-((1S,3R)-3-(3-ethoxy-tetrahydr...)Show SMILES CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H40F3N3O3/c1-4-36-24-18-35-15-9-23(24)31-21-8-10-26(17-21,19(2)3)25(34)33-13-11-32(12-14-33)22-7-5-6-20(16-22)27(28,29)30/h5-7,16,19,21,23-24,31H,4,8-15,17-18H2,1-3H3/t21-,23-,24+,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 206 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of labeled MIP-1beta from human CCR5 receptor |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337603
((4-(3,5-bis(trifluoromethyl)phenyl)piperazin-1-yl)...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1)C(=O)N1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H35F6N3O2/c1-17(2)24(6-3-21(16-24)33-20-4-11-37-12-5-20)23(36)35-9-7-34(8-10-35)22-14-18(25(27,28)29)13-19(15-22)26(30,31)32/h13-15,17,20-21,33H,3-12,16H2,1-2H3/t21-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 213 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337621
(((1S,3R)-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C)(C1)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C23H33F3N4O3/c1-22(6-3-17(14-22)28-18-5-12-33-15-19(18)32-2)21(31)30-10-8-29(9-11-30)20-13-16(4-7-27-20)23(24,25)26/h4,7,13,17-19,28H,3,5-6,8-12,14-15H2,1-2H3/t17-,18+,19-,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 221 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337629
(((1S,3R)-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C1CCOC1)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C26H37F3N4O4/c1-35-22-17-37-13-5-21(22)31-20-2-6-25(15-20,19-4-12-36-16-19)24(34)33-10-8-32(9-11-33)23-14-18(3-7-30-23)26(27,28)29/h3,7,14,19-22,31H,2,4-6,8-13,15-17H2,1H3/t19?,20-,21+,22-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 232 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50337602
(((1S,3R)-1-isopropyl-3-(tetrahydro-2H-pyran-4-ylam...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C25H36F3N3O2/c1-18(2)24(9-6-21(17-24)29-20-7-14-33-15-8-20)23(32)31-12-10-30(11-13-31)22-5-3-4-19(16-22)25(26,27)28/h3-5,16,18,20-21,29H,6-15,17H2,1-2H3/t21-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 283 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of labeled MIP-1beta from human CCR5 receptor |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337630
(((1R,3R)-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](Cc2cccnc2)(C1)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C28H36F3N5O3/c1-38-24-19-39-14-6-23(24)34-22-4-7-27(17-22,16-20-3-2-8-32-18-20)26(37)36-12-10-35(11-13-36)25-15-21(5-9-33-25)28(29,30)31/h2-3,5,8-9,15,18,22-24,34H,4,6-7,10-14,16-17,19H2,1H3/t22-,23+,24-,27-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 294 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50337609
(CHEMBL1683064 | cis-((1S,3R)-3-(3-ethyl-tetrahydro...)Show SMILES CC[C@H]1COCC[C@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H40F3N3O2/c1-4-20-18-35-15-9-24(20)31-22-8-10-26(17-22,19(2)3)25(34)33-13-11-32(12-14-33)23-7-5-6-21(16-23)27(28,29)30/h5-7,16,19-20,22,24,31H,4,8-15,17-18H2,1-3H3/t20-,22+,24+,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 312 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of labeled MIP-1beta from human CCR5 receptor |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50337606
(CHEMBL1683061 | trans-((1S,3R)-1-isopropyl-3-(3-me...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)N[C@H]1CCOC[C@@H]1C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H38F3N3O2/c1-18(2)25(9-7-21(16-25)30-23-8-14-34-17-19(23)3)24(33)32-12-10-31(11-13-32)22-6-4-5-20(15-22)26(27,28)29/h4-6,15,18-19,21,23,30H,7-14,16-17H2,1-3H3/t19-,21+,23-,25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of labeled MIP-1beta from human CCR5 receptor |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337611
(CHEMBL1683066 | trans-((1S,3R)-3-(3-ethyl-tetrahyd...)Show SMILES CC[C@@H]1COCC[C@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H40F3N3O2/c1-4-20-18-35-15-9-24(20)31-22-8-10-26(17-22,19(2)3)25(34)33-13-11-32(12-14-33)23-7-5-6-21(16-23)27(28,29)30/h5-7,16,19-20,22,24,31H,4,8-15,17-18H2,1-3H3/t20-,22-,24-,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 462 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50337610
(CHEMBL1683065 | trans-((1S,3R)-3-(3-ethyl-tetrahyd...)Show SMILES CC[C@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H40F3N3O2/c1-4-20-18-35-15-9-24(20)31-22-8-10-26(17-22,19(2)3)25(34)33-13-11-32(12-14-33)23-7-5-6-21(16-23)27(28,29)30/h5-7,16,19-20,22,24,31H,4,8-15,17-18H2,1-3H3/t20-,22+,24-,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 546 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of labeled MIP-1beta from human CCR5 receptor |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50337617
(CHEMBL1683072 | cis-((1S,3R)-1-isopropyl-3-(3-(met...)Show SMILES COC[C@H]1COCC[C@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H40F3N3O3/c1-19(2)26(9-7-22(16-26)31-24-8-14-36-18-20(24)17-35-3)25(34)33-12-10-32(11-13-33)23-6-4-5-21(15-23)27(28,29)30/h4-6,15,19-20,22,24,31H,7-14,16-18H2,1-3H3/t20-,22+,24+,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 572 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of labeled MIP-1beta from human CCR5 receptor |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337600
(((1S,3R)-1-isopropyl-3-(tetrahydro-2H-pyran-4-ylam...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1)C(=O)N1CCC(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H37F3N2O2/c1-18(2)25(11-6-23(17-25)30-22-9-14-33-15-10-22)24(32)31-12-7-19(8-13-31)20-4-3-5-21(16-20)26(27,28)29/h3-5,16,18-19,22-23,30H,6-15,17H2,1-2H3/t23-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 904 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50337611
(CHEMBL1683066 | trans-((1S,3R)-3-(3-ethyl-tetrahyd...)Show SMILES CC[C@@H]1COCC[C@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H40F3N3O2/c1-4-20-18-35-15-9-24(20)31-22-8-10-26(17-22,19(2)3)25(34)33-13-11-32(12-14-33)23-7-5-6-21(16-23)27(28,29)30/h5-7,16,19-20,22,24,31H,4,8-15,17-18H2,1-3H3/t20-,22-,24-,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of labeled MIP-1beta from human CCR5 receptor |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50337607
(CHEMBL1683062 | trans-((1S,3R)-1-isopropyl-3-(3-me...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)N[C@@H]1CCOC[C@H]1C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H38F3N3O2/c1-18(2)25(9-7-21(16-25)30-23-8-14-34-17-19(23)3)24(33)32-12-10-31(11-13-32)22-6-4-5-20(15-22)26(27,28)29/h4-6,15,18-19,21,23,30H,7-14,16-17H2,1-3H3/t19-,21-,23-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of labeled MIP-1beta from human CCR5 receptor |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50337631
(((1S,3R)-1-(2-hydroxypropan-2-yl)-3-((3S,4S)-3-met...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C1)(C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F)C(C)(C)O |r| Show InChI InChI=1S/C25H37F3N4O4/c1-23(2,34)24(7-4-18(15-24)30-19-6-13-36-16-20(19)35-3)22(33)32-11-9-31(10-12-32)21-14-17(5-8-29-21)25(26,27)28/h5,8,14,18-20,30,34H,4,6-7,9-13,15-16H2,1-3H3/t18-,19+,20-,24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50337619
(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C25H37F3N4O3/c1-17(2)24(7-4-19(15-24)30-20-6-13-35-16-21(20)34-3)23(33)32-11-9-31(10-12-32)22-14-18(5-8-29-22)25(26,27)28/h5,8,14,17,19-21,30H,4,6-7,9-13,15-16H2,1-3H3/t19-,20+,21-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp assay |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50337619
(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C25H37F3N4O3/c1-17(2)24(7-4-19(15-24)30-20-6-13-35-16-21(20)34-3)23(33)32-11-9-31(10-12-32)22-14-18(5-8-29-22)25(26,27)28/h5,8,14,17,19-21,30H,4,6-7,9-13,15-16H2,1-3H3/t19-,20+,21-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50337619
(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C25H37F3N4O3/c1-17(2)24(7-4-19(15-24)30-20-6-13-35-16-21(20)34-3)23(33)32-11-9-31(10-12-32)22-14-18(5-8-29-22)25(26,27)28/h5,8,14,17,19-21,30H,4,6-7,9-13,15-16H2,1-3H3/t19-,20+,21-,24+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
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