Found 52 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 5
(Homo sapiens (Human)) | BDBM50305799
(5-((3aR,6aS)-5-(2-(1-(3,3-difluorocyclobutanecarbo...)Show SMILES Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1)C#N |r| Show InChI InChI=1S/C31H35F2N5O2/c1-20-10-26(13-34)35-21(2)27(20)29(40)37-16-23-14-36(15-24(23)17-37)9-8-30(25-6-4-3-5-7-25)18-38(19-30)28(39)22-11-31(32,33)12-22/h3-7,10,22-24H,8-9,11-12,14-19H2,1-2H3/t23-,24+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305800
(((3aR,6aS)-5-(2-(1-(4,4-difluorocyclohexanecarbony...)Show SMILES Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1)C(F)(F)F |r| Show InChI InChI=1S/C33H39F5N4O2/c1-21-14-27(33(36,37)38)39-22(2)28(21)30(44)41-17-24-15-40(16-25(24)18-41)13-12-31(26-6-4-3-5-7-26)19-42(20-31)29(43)23-8-10-32(34,35)11-9-23/h3-7,14,23-25H,8-13,15-20H2,1-2H3/t24-,25+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305801
(((3aR,6aS)-5-(2-(1-(3,3-difluorocyclobutanecarbony...)Show SMILES Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1)C(F)(F)F |r| Show InChI InChI=1S/C31H35F5N4O2/c1-19-10-25(31(34,35)36)37-20(2)26(19)28(42)39-15-22-13-38(14-23(22)16-39)9-8-29(24-6-4-3-5-7-24)17-40(18-29)27(41)21-11-30(32,33)12-21/h3-7,10,21-23H,8-9,11-18H2,1-2H3/t22-,23+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305794
(((3aR,6aS)-5-(2-(1-(4,4-difluorocyclohexanecarbony...)Show SMILES Cc1nc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1)C(F)(F)F |r| Show InChI InChI=1S/C32H38F5N5O2/c1-20-26(21(2)39-29(38-20)32(35,36)37)28(44)41-16-23-14-40(15-24(23)17-41)13-12-30(25-6-4-3-5-7-25)18-42(19-30)27(43)22-8-10-31(33,34)11-9-22/h3-7,22-24H,8-19H2,1-2H3/t23-,24+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305791
(((3aR,6aS)-5-(2-(1-(4,4-difluorocyclohexanecarbony...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C31H39F2N5O2/c1-21-27(22(2)35-20-34-21)29(40)37-16-24-14-36(15-25(24)17-37)13-12-30(26-6-4-3-5-7-26)18-38(19-30)28(39)23-8-10-31(32,33)11-9-23/h3-7,20,23-25H,8-19H2,1-2H3/t24-,25+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305796
(((3aR,6aS)-5-(2-(1-(4,4-difluorocyclohexanecarbony...)Show SMILES Cc1ccnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C32H40F2N4O2/c1-22-10-14-35-23(2)28(22)30(40)37-18-25-16-36(17-26(25)19-37)15-13-31(27-6-4-3-5-7-27)20-38(21-31)29(39)24-8-11-32(33,34)12-9-24/h3-7,10,14,24-26H,8-9,11-13,15-21H2,1-2H3/t25-,26+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305780
(5-((3aR,6aS)-5-(2-(4-(3-fluorophenyl)-1-pivaloylpi...)Show SMILES Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(CC3)C(=O)C(C)(C)C)c3cccc(F)c3)C[C@@H]2C1)C#N |r| Show InChI InChI=1S/C33H42FN5O2/c1-22-15-28(17-35)36-23(2)29(22)30(40)39-20-24-18-37(19-25(24)21-39)12-9-33(26-7-6-8-27(34)16-26)10-13-38(14-11-33)31(41)32(3,4)5/h6-8,15-16,24-25H,9-14,18-21H2,1-5H3/t24-,25+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305798
(5-((3aR,6aS)-5-(2-(1-(4,4-difluorocyclohexanecarbo...)Show SMILES Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1)C#N |r| Show InChI InChI=1S/C33H39F2N5O2/c1-22-14-28(15-36)37-23(2)29(22)31(42)39-18-25-16-38(17-26(25)19-39)13-12-32(27-6-4-3-5-7-27)20-40(21-32)30(41)24-8-10-33(34,35)11-9-24/h3-7,14,24-26H,8-13,16-21H2,1-2H3/t25-,26+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305800
(((3aR,6aS)-5-(2-(1-(4,4-difluorocyclohexanecarbony...)Show SMILES Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1)C(F)(F)F |r| Show InChI InChI=1S/C33H39F5N4O2/c1-21-14-27(33(36,37)38)39-22(2)28(21)30(44)41-17-24-15-40(16-25(24)18-41)13-12-31(26-6-4-3-5-7-26)19-42(20-31)29(43)23-8-10-32(34,35)11-9-23/h3-7,14,23-25H,8-13,15-20H2,1-2H3/t24-,25+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305801
(((3aR,6aS)-5-(2-(1-(3,3-difluorocyclobutanecarbony...)Show SMILES Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1)C(F)(F)F |r| Show InChI InChI=1S/C31H35F5N4O2/c1-19-10-25(31(34,35)36)37-20(2)26(19)28(42)39-15-22-13-38(14-23(22)16-39)9-8-29(24-6-4-3-5-7-24)17-40(18-29)27(41)21-11-30(32,33)12-21/h3-7,10,21-23H,8-9,11-18H2,1-2H3/t22-,23+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305799
(5-((3aR,6aS)-5-(2-(1-(3,3-difluorocyclobutanecarbo...)Show SMILES Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1)C#N |r| Show InChI InChI=1S/C31H35F2N5O2/c1-20-10-26(13-34)35-21(2)27(20)29(40)37-16-23-14-36(15-24(23)17-37)9-8-30(25-6-4-3-5-7-25)18-38(19-30)28(39)22-11-31(32,33)12-22/h3-7,10,22-24H,8-9,11-12,14-19H2,1-2H3/t23-,24+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305788
(1-(3-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-car...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C(C)(C)C)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H39N5O2/c1-20-25(21(2)31-19-30-20)26(35)33-15-22-13-32(14-23(22)16-33)12-11-29(24-9-7-6-8-10-24)17-34(18-29)27(36)28(3,4)5/h6-10,19,22-23H,11-18H2,1-5H3/t22-,23+ | 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 |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305790
(((3aR,6aS)-5-(2-(1-(cyclopentylsulfonyl)-3-phenyla...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)S(=O)(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H39N5O3S/c1-21-27(22(2)31-20-30-21)28(35)33-16-23-14-32(15-24(23)17-33)13-12-29(25-8-4-3-5-9-25)18-34(19-29)38(36,37)26-10-6-7-11-26/h3-5,8-9,20,23-24,26H,6-7,10-19H2,1-2H3/t23-,24+ | 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 |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305791
(((3aR,6aS)-5-(2-(1-(4,4-difluorocyclohexanecarbony...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C31H39F2N5O2/c1-21-27(22(2)35-20-34-21)29(40)37-16-24-14-36(15-25(24)17-37)13-12-30(26-6-4-3-5-7-26)18-38(19-30)28(39)23-8-10-31(32,33)11-9-23/h3-7,20,23-25H,8-19H2,1-2H3/t24-,25+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305786
(2-cyclopentyl-1-(3-(2-((3aR,6aS)-5-(4,6-dimethylpy...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)CC3CCCC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C31H41N5O2/c1-22-29(23(2)33-21-32-22)30(38)35-17-25-15-34(16-26(25)18-35)13-12-31(27-10-4-3-5-11-27)19-36(20-31)28(37)14-24-8-6-7-9-24/h3-5,10-11,21,24-26H,6-9,12-20H2,1-2H3/t25-,26+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305794
(((3aR,6aS)-5-(2-(1-(4,4-difluorocyclohexanecarbony...)Show SMILES Cc1nc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1)C(F)(F)F |r| Show InChI InChI=1S/C32H38F5N5O2/c1-20-26(21(2)39-29(38-20)32(35,36)37)28(44)41-16-23-14-40(15-24(23)17-41)13-12-30(25-6-4-3-5-7-25)18-42(19-30)27(43)22-8-10-31(33,34)11-9-22/h3-7,22-24H,8-19H2,1-2H3/t23-,24+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305792
(((3aR,6aS)-5-(2-(1-(3,3-difluorocyclobutanecarbony...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H35F2N5O2/c1-19-25(20(2)33-18-32-19)27(38)35-14-22-12-34(13-23(22)15-35)9-8-28(24-6-4-3-5-7-24)16-36(17-28)26(37)21-10-29(30,31)11-21/h3-7,18,21-23H,8-17H2,1-2H3/t22-,23+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305780
(5-((3aR,6aS)-5-(2-(4-(3-fluorophenyl)-1-pivaloylpi...)Show SMILES Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(CC3)C(=O)C(C)(C)C)c3cccc(F)c3)C[C@@H]2C1)C#N |r| Show InChI InChI=1S/C33H42FN5O2/c1-22-15-28(17-35)36-23(2)29(22)30(40)39-20-24-18-37(19-25(24)21-39)12-9-33(26-7-6-8-27(34)16-26)10-13-38(14-11-33)31(41)32(3,4)5/h6-8,15-16,24-25H,9-14,18-21H2,1-5H3/t24-,25+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305796
(((3aR,6aS)-5-(2-(1-(4,4-difluorocyclohexanecarbony...)Show SMILES Cc1ccnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C32H40F2N4O2/c1-22-10-14-35-23(2)28(22)30(40)37-18-25-16-36(17-26(25)19-37)15-13-31(27-6-4-3-5-7-27)20-38(21-31)29(39)24-8-11-32(33,34)12-9-24/h3-7,10,14,24-26H,8-9,11-13,15-21H2,1-2H3/t25-,26+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305793
((4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl)((...)Show SMILES Cc1nc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCOC3)c3ccccc3)C[C@@H]2C1)C(F)(F)F |r| Show InChI InChI=1S/C30H36F3N5O3/c1-19-25(20(2)35-28(34-19)30(31,32)33)27(40)37-14-22-12-36(13-23(22)15-37)10-9-29(24-6-4-3-5-7-24)17-38(18-29)26(39)21-8-11-41-16-21/h3-7,21-23H,8-18H2,1-2H3/t21?,22-,23+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305782
(5-((3aR,6aS)-5-(2-(1-(cyclopentanecarbonyl)-3-phen...)Show SMILES Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(C3)C(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1)C#N |r| Show InChI InChI=1S/C33H41N5O2/c1-23-16-29(17-34)35-24(2)30(23)32(40)38-20-26-18-36(19-27(26)21-38)14-12-33(28-10-4-3-5-11-28)13-15-37(22-33)31(39)25-8-6-7-9-25/h3-5,10-11,16,25-27H,6-9,12-15,18-22H2,1-2H3/t26-,27+,33? | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305797
(((3aR,6aS)-5-(2-(1-(3,3-difluorocyclobutanecarbony...)Show SMILES Cc1ccnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C30H36F2N4O2/c1-20-8-10-33-21(2)26(20)28(38)35-16-23-14-34(15-24(23)17-35)11-9-29(25-6-4-3-5-7-25)18-36(19-29)27(37)22-12-30(31,32)13-22/h3-8,10,22-24H,9,11-19H2,1-2H3/t23-,24+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305787
((4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(2-(3-phe...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCOC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H37N5O3/c1-20-26(21(2)31-19-30-20)28(36)33-14-23-12-32(13-24(23)15-33)10-9-29(25-6-4-3-5-7-25)17-34(18-29)27(35)22-8-11-37-16-22/h3-7,19,22-24H,8-18H2,1-2H3/t22?,23-,24+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305789
(1-(3-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-car...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C(C)(C)CO)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H39N5O3/c1-20-25(21(2)31-19-30-20)26(36)33-14-22-12-32(13-23(22)15-33)11-10-29(24-8-6-5-7-9-24)16-34(17-29)27(37)28(3,4)18-35/h5-9,19,22-23,35H,10-18H2,1-4H3/t22-,23+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305777
(1-(4-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-car...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(CC3)C(=O)C(C)(C)C)c3cccc(F)c3)C[C@@H]2C1 |r| Show InChI InChI=1S/C31H42FN5O2/c1-21-27(22(2)34-20-33-21)28(38)37-18-23-16-35(17-24(23)19-37)12-9-31(25-7-6-8-26(32)15-25)10-13-36(14-11-31)29(39)30(3,4)5/h6-8,15,20,23-24H,9-14,16-19H2,1-5H3/t23-,24+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305797
(((3aR,6aS)-5-(2-(1-(3,3-difluorocyclobutanecarbony...)Show SMILES Cc1ccnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C30H36F2N4O2/c1-20-8-10-33-21(2)26(20)28(38)35-16-23-14-34(15-24(23)17-35)11-9-29(25-6-4-3-5-7-25)18-36(19-29)27(37)22-12-30(31,32)13-22/h3-8,10,22-24H,9,11-19H2,1-2H3/t23-,24+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305785
(((3aR,6aS)-5-(2-(1-(cyclopentanecarbonyl)-3-phenyl...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C30H39N5O2/c1-21-27(22(2)32-20-31-21)29(37)34-16-24-14-33(15-25(24)17-34)13-12-30(26-10-4-3-5-11-26)18-35(19-30)28(36)23-8-6-7-9-23/h3-5,10-11,20,23-25H,6-9,12-19H2,1-2H3/t24-,25+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305795
(((3aR,6aS)-5-(2-(1-(3,3-difluorocyclobutanecarbony...)Show SMILES Cc1nc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1)C(F)(F)F |r| Show InChI InChI=1S/C30H34F5N5O2/c1-18-24(19(2)37-27(36-18)30(33,34)35)26(42)39-14-21-12-38(13-22(21)15-39)9-8-28(23-6-4-3-5-7-23)16-40(17-28)25(41)20-10-29(31,32)11-20/h3-7,20-22H,8-17H2,1-2H3/t21-,22+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305785
(((3aR,6aS)-5-(2-(1-(cyclopentanecarbonyl)-3-phenyl...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C30H39N5O2/c1-21-27(22(2)32-20-31-21)29(37)34-16-24-14-33(15-25(24)17-34)13-12-30(26-10-4-3-5-11-26)18-35(19-30)28(36)23-8-6-7-9-23/h3-5,10-11,20,23-25H,6-9,12-19H2,1-2H3/t24-,25+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305784
(4,6-dimethyl-5-((3aR,6aS)-5-(2-(3-phenyl-1-pivaloy...)Show SMILES Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(C3)C(=O)C(C)(C)C)c3ccccc3)C[C@@H]2C1)C#N |r| Show InChI InChI=1S/C32H41N5O2/c1-22-15-27(16-33)34-23(2)28(22)29(38)37-19-24-17-35(18-25(24)20-37)13-11-32(26-9-7-6-8-10-26)12-14-36(21-32)30(39)31(3,4)5/h6-10,15,24-25H,11-14,17-21H2,1-5H3/t24-,25+,32? | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305782
(5-((3aR,6aS)-5-(2-(1-(cyclopentanecarbonyl)-3-phen...)Show SMILES Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(C3)C(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1)C#N |r| Show InChI InChI=1S/C33H41N5O2/c1-23-16-29(17-34)35-24(2)30(23)32(40)38-20-26-18-36(19-27(26)21-38)14-12-33(28-10-4-3-5-11-28)13-15-37(22-33)31(39)25-8-6-7-9-25/h3-5,10-11,16,25-27H,6-9,12-15,18-22H2,1-2H3/t26-,27+,33? | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305793
((4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl)((...)Show SMILES Cc1nc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCOC3)c3ccccc3)C[C@@H]2C1)C(F)(F)F |r| Show InChI InChI=1S/C30H36F3N5O3/c1-19-25(20(2)35-28(34-19)30(31,32)33)27(40)37-14-22-12-36(13-23(22)15-37)10-9-29(24-6-4-3-5-7-24)17-38(18-29)26(39)21-8-11-41-16-21/h3-7,21-23H,8-18H2,1-2H3/t21?,22-,23+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305792
(((3aR,6aS)-5-(2-(1-(3,3-difluorocyclobutanecarbony...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H35F2N5O2/c1-19-25(20(2)33-18-32-19)27(38)35-14-22-12-34(13-23(22)15-35)9-8-28(24-6-4-3-5-7-24)16-36(17-28)26(37)21-10-29(30,31)11-21/h3-7,18,21-23H,8-17H2,1-2H3/t22-,23+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305776
(1-(4-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-car...)Show SMILES CC(C)C(=O)N1CCC(CCN2C[C@H]3CN(C[C@H]3C2)C(=O)c2c(C)ncnc2C)(CC1)c1cccc(F)c1 |r| Show InChI InChI=1S/C30H40FN5O2/c1-20(2)28(37)35-12-9-30(10-13-35,25-6-5-7-26(31)14-25)8-11-34-15-23-17-36(18-24(23)16-34)29(38)27-21(3)32-19-33-22(27)4/h5-7,14,19-20,23-24H,8-13,15-18H2,1-4H3/t23-,24+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305781
(((3aR,6aS)-5-(2-(1-(cyclopentanecarbonyl)-3-phenyl...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(C3)C(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C31H41N5O2/c1-22-28(23(2)33-21-32-22)30(38)36-18-25-16-34(17-26(25)19-36)14-12-31(27-10-4-3-5-11-27)13-15-35(20-31)29(37)24-8-6-7-9-24/h3-5,10-11,21,24-26H,6-9,12-20H2,1-2H3/t25-,26+,31? | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305777
(1-(4-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-car...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(CC3)C(=O)C(C)(C)C)c3cccc(F)c3)C[C@@H]2C1 |r| Show InChI InChI=1S/C31H42FN5O2/c1-21-27(22(2)34-20-33-21)28(38)37-18-23-16-35(17-24(23)19-37)12-9-31(25-7-6-8-26(32)15-25)10-13-36(14-11-31)29(39)30(3,4)5/h6-8,15,20,23-24H,9-14,16-19H2,1-5H3/t23-,24+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 129 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305786
(2-cyclopentyl-1-(3-(2-((3aR,6aS)-5-(4,6-dimethylpy...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)CC3CCCC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C31H41N5O2/c1-22-29(23(2)33-21-32-22)30(38)35-17-25-15-34(16-26(25)18-35)13-12-31(27-10-4-3-5-11-27)19-36(20-31)28(37)14-24-8-6-7-9-24/h3-5,10-11,21,24-26H,6-9,12-20H2,1-2H3/t25-,26+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 136 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305776
(1-(4-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-car...)Show SMILES CC(C)C(=O)N1CCC(CCN2C[C@H]3CN(C[C@H]3C2)C(=O)c2c(C)ncnc2C)(CC1)c1cccc(F)c1 |r| Show InChI InChI=1S/C30H40FN5O2/c1-20(2)28(37)35-12-9-30(10-13-35,25-6-5-7-26(31)14-25)8-11-34-15-23-17-36(18-24(23)16-34)29(38)27-21(3)32-19-33-22(27)4/h5-7,14,19-20,23-24H,8-13,15-18H2,1-4H3/t23-,24+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305779
(1-(4-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-car...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(CC3)C(=O)C(C)(C)CO)c3cccc(F)c3)C[C@@H]2C1 |r| Show InChI InChI=1S/C31H42FN5O3/c1-21-27(22(2)34-20-33-21)28(39)37-17-23-15-35(16-24(23)18-37)11-8-31(25-6-5-7-26(32)14-25)9-12-36(13-10-31)29(40)30(3,4)19-38/h5-7,14,20,23-24,38H,8-13,15-19H2,1-4H3/t23-,24+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 167 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305795
(((3aR,6aS)-5-(2-(1-(3,3-difluorocyclobutanecarbony...)Show SMILES Cc1nc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1)C(F)(F)F |r| Show InChI InChI=1S/C30H34F5N5O2/c1-18-24(19(2)37-27(36-18)30(33,34)35)26(42)39-14-21-12-38(13-22(21)15-39)9-8-28(23-6-4-3-5-7-23)16-40(17-28)25(41)20-10-29(31,32)11-20/h3-7,20-22H,8-17H2,1-2H3/t21-,22+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 168 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305788
(1-(3-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-car...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C(C)(C)C)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H39N5O2/c1-20-25(21(2)31-19-30-20)26(35)33-15-22-13-32(14-23(22)16-33)12-11-29(24-9-7-6-8-10-24)17-34(18-29)27(36)28(3,4)5/h6-10,19,22-23H,11-18H2,1-5H3/t22-,23+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 186 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305783
(1-(3-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-car...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(C3)C(=O)C(C)(C)C)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C30H41N5O2/c1-21-26(22(2)32-20-31-21)27(36)35-17-23-15-33(16-24(23)18-35)13-11-30(25-9-7-6-8-10-25)12-14-34(19-30)28(37)29(3,4)5/h6-10,20,23-24H,11-19H2,1-5H3/t23-,24+,30? | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 242 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305789
(1-(3-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-car...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C(C)(C)CO)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H39N5O3/c1-20-25(21(2)31-19-30-20)26(36)33-14-22-12-32(13-23(22)15-33)11-10-29(24-8-6-5-7-9-24)16-34(17-29)27(37)28(3,4)18-35/h5-9,19,22-23,35H,10-18H2,1-4H3/t22-,23+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305778
(1-(4-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-car...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(CC3)C(=O)CC(C)(C)C)c3cccc(F)c3)C[C@@H]2C1 |r| Show InChI InChI=1S/C32H44FN5O2/c1-22-29(23(2)35-21-34-22)30(40)38-19-24-17-36(18-25(24)20-38)12-9-32(26-7-6-8-27(33)15-26)10-13-37(14-11-32)28(39)16-31(3,4)5/h6-8,15,21,24-25H,9-14,16-20H2,1-5H3/t24-,25+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 339 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305784
(4,6-dimethyl-5-((3aR,6aS)-5-(2-(3-phenyl-1-pivaloy...)Show SMILES Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(C3)C(=O)C(C)(C)C)c3ccccc3)C[C@@H]2C1)C#N |r| Show InChI InChI=1S/C32H41N5O2/c1-22-15-27(16-33)34-23(2)28(22)29(38)37-19-24-17-35(18-25(24)20-37)13-11-32(26-9-7-6-8-10-26)12-14-36(21-32)30(39)31(3,4)5/h6-10,15,24-25H,11-14,17-21H2,1-5H3/t24-,25+,32? | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305781
(((3aR,6aS)-5-(2-(1-(cyclopentanecarbonyl)-3-phenyl...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(C3)C(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C31H41N5O2/c1-22-28(23(2)33-21-32-22)30(38)36-18-25-16-34(17-26(25)19-36)14-12-31(27-10-4-3-5-11-27)13-15-35(20-31)29(37)24-8-6-7-9-24/h3-5,10-11,21,24-26H,6-9,12-20H2,1-2H3/t25-,26+,31? | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 361 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305790
(((3aR,6aS)-5-(2-(1-(cyclopentylsulfonyl)-3-phenyla...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)S(=O)(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H39N5O3S/c1-21-27(22(2)31-20-30-21)28(35)33-16-23-14-32(15-24(23)17-33)13-12-29(25-8-4-3-5-9-25)18-34(19-29)38(36,37)26-10-6-7-11-26/h3-5,8-9,20,23-24,26H,6-7,10-19H2,1-2H3/t23-,24+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 458 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305775
(1-(4-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-car...)Show SMILES CC(=O)N1CCC(CCN2C[C@H]3CN(C[C@H]3C2)C(=O)c2c(C)ncnc2C)(CC1)c1cccc(F)c1 |r| Show InChI InChI=1S/C28H36FN5O2/c1-19-26(20(2)31-18-30-19)27(36)34-16-22-14-32(15-23(22)17-34)10-7-28(24-5-4-6-25(29)13-24)8-11-33(12-9-28)21(3)35/h4-6,13,18,22-23H,7-12,14-17H2,1-3H3/t22-,23+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >500 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305787
((4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(2-(3-phe...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCOC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H37N5O3/c1-20-26(21(2)31-19-30-20)28(36)33-14-23-12-32(13-24(23)15-33)10-9-29(25-6-4-3-5-7-25)17-34(18-29)27(35)22-8-11-37-16-22/h3-7,19,22-24H,8-18H2,1-2H3/t22?,23-,24+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 559 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305779
(1-(4-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-car...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(CC3)C(=O)C(C)(C)CO)c3cccc(F)c3)C[C@@H]2C1 |r| Show InChI InChI=1S/C31H42FN5O3/c1-21-27(22(2)34-20-33-21)28(39)37-17-23-15-35(16-24(23)18-37)11-8-31(25-6-5-7-26(32)14-25)9-12-36(13-10-31)29(40)30(3,4)19-38/h5-7,14,20,23-24,38H,8-13,15-19H2,1-4H3/t23-,24+ | 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 |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305783
(1-(3-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-car...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(C3)C(=O)C(C)(C)C)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C30H41N5O2/c1-21-26(22(2)32-20-31-21)27(36)35-17-23-15-33(16-24(23)18-35)13-11-30(25-9-7-6-8-10-25)12-14-34(19-30)28(37)29(3,4)5/h6-10,20,23-24H,11-19H2,1-5H3/t23-,24+,30? | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50305775
(1-(4-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-car...)Show SMILES CC(=O)N1CCC(CCN2C[C@H]3CN(C[C@H]3C2)C(=O)c2c(C)ncnc2C)(CC1)c1cccc(F)c1 |r| Show InChI InChI=1S/C28H36FN5O2/c1-19-26(20(2)31-18-30-19)27(36)34-16-22-14-32(15-23(22)17-34)10-7-28(24-5-4-6-25(29)13-24)8-11-33(12-9-28)21(3)35/h4-6,13,18,22-23H,7-12,14-17H2,1-3H3/t22-,23+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CCR5 by cell-cell fusion assay |
Bioorg Med Chem Lett 20: 704-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.072 BindingDB Entry DOI: 10.7270/Q22R3RSC |
More data for this Ligand-Target Pair | |