Found 114 hits with Last Name = 'sankuratri' and Initial = 's' 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)) | BDBM50318447
(CHEMBL1096764 | N-((S)-3-((3aR,6aS)-5-(2,6-dimethy...)Show SMILES Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCCC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C31H41N3O2/c1-22-10-9-11-23(2)29(22)31(36)34-20-26-18-33(19-27(26)21-34)17-16-28(24-12-5-3-6-13-24)32-30(35)25-14-7-4-8-15-25/h3,5-6,9-13,25-28H,4,7-8,14-21H2,1-2H3,(H,32,35)/t26-,27+,28-/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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay |
Bioorg Med Chem Lett 20: 3116-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50318446
(CHEMBL1096765 | N-((S)-3-((3aR,6aS)-5-(2,6-dimethy...)Show SMILES Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C31H39F2N3O2/c1-21-7-6-8-22(2)28(21)30(38)36-19-25-17-35(18-26(25)20-36)16-13-27(23-9-4-3-5-10-23)34-29(37)24-11-14-31(32,33)15-12-24/h3-10,24-27H,11-20H2,1-2H3,(H,34,37)/t25-,26+,27-/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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay |
Bioorg Med Chem Lett 20: 3116-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50319434
((R)-3-(1'-(4,6-dimethylpyrimidine-5-carbonyl)-4'-m...)Show SMILES CCO[C@H]1CC[C@H](CN2C[C@H](N(C3CCN(CC3)C3(C)CCN(CC3)C(=O)c3c(C)ncnc3C)C2=O)c2ccccc2)CC1 |r,wU:10.40,6.6,wD:3.2,(13.9,-8.06,;13.92,-6.52,;15.26,-5.76,;15.27,-4.22,;16.61,-3.46,;16.63,-1.92,;15.29,-1.14,;15.3,.4,;16.64,1.16,;16.57,2.7,;18.01,3.24,;18.97,2.04,;20.51,2.11,;21.23,3.48,;22.77,3.56,;23.6,2.25,;22.89,.87,;21.34,.81,;25.13,2.32,;24.35,3.65,;25.96,1.01,;27.49,1.07,;28.21,2.44,;27.38,3.74,;25.84,3.68,;29.75,2.5,;30.46,3.86,;30.57,1.19,;32.1,1.26,;32.81,2.63,;32.92,-.04,;32.21,-1.41,;30.67,-1.47,;29.85,-.17,;28.31,-.22,;18.12,.75,;18.67,-.69,;18.79,4.57,;20.33,4.56,;21.11,5.89,;20.34,7.22,;18.8,7.23,;18.03,5.9,;13.96,-1.9,;13.95,-3.44,)| Show InChI InChI=1S/C36H52N6O3/c1-5-45-31-13-11-28(12-14-31)23-40-24-32(29-9-7-6-8-10-29)42(35(40)44)30-15-19-41(20-16-30)36(4)17-21-39(22-18-36)34(43)33-26(2)37-25-38-27(33)3/h6-10,25,28,30-32H,5,11-24H2,1-4H3/t28-,31-,32-/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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 20: 3219-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.077
BindingDB Entry DOI: 10.7270/Q2FT8M63 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50318439
(CHEMBL1097815 | N-((S)-3-((3aR,6aS)-5-(4-fluoro-2,...)Show SMILES Cc1cc(F)cc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C30H38FN3O2/c1-20-14-26(31)15-21(2)28(20)30(36)34-18-24-16-33(17-25(24)19-34)13-12-27(22-8-4-3-5-9-22)32-29(35)23-10-6-7-11-23/h3-5,8-9,14-15,23-25,27H,6-7,10-13,16-19H2,1-2H3,(H,32,35)/t24-,25+,27-/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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay |
Bioorg Med Chem Lett 20: 3116-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50318451
(CHEMBL1096445 | N-((S)-3-((3aR,6aS)-5-(2,6-dimethy...)Show SMILES Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C30H39N3O2/c1-21-9-8-10-22(2)28(21)30(35)33-19-25-17-32(18-26(25)20-33)16-15-27(23-11-4-3-5-12-23)31-29(34)24-13-6-7-14-24/h3-5,8-12,24-27H,6-7,13-20H2,1-2H3,(H,31,34)/t25-,26+,27-/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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay |
Bioorg Med Chem Lett 20: 3116-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50115528
((Z)-(4-((4-bromophenyl)(ethoxyimino)methyl)-4'-met...)Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 Show InChI InChI=1S/C29H38BrN3O2/c1-5-35-31-27(23-9-11-25(30)12-10-23)24-13-17-33(18-14-24)29(4)15-19-32(20-16-29)28(34)26-21(2)7-6-8-22(26)3/h6-12,24H,5,13-20H2,1-4H3/b31-27+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay |
Bioorg Med Chem Lett 20: 3116-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50318436
(CHEMBL1097169 | N-((S)-3-((3aR,6aS)-5-(2,4-dimethy...)Show SMILES Cc1ccnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H38N4O2/c1-20-12-14-30-21(2)27(20)29(35)33-18-24-16-32(17-25(24)19-33)15-13-26(22-8-4-3-5-9-22)31-28(34)23-10-6-7-11-23/h3-5,8-9,12,14,23-26H,6-7,10-11,13,15-19H2,1-2H3,(H,31,34)/t24-,25+,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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay |
Bioorg Med Chem Lett 20: 3116-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50310731
(4-butyl-3-(cyclohexylmethyl)-8-(1-(4,6-dimethylpyr...)Show SMILES CCCCC1N(CC2CCCCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C Show InChI InChI=1S/C31H49N5O3/c1-5-6-12-26-31(39-29(38)36(26)21-25-10-8-7-9-11-25)15-19-35(20-16-31)30(4)13-17-34(18-14-30)28(37)27-23(2)32-22-33-24(27)3/h22,25-26H,5-21H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Displacement of [125I]RANTES from human CCR5 receptor cotransfected with Galphai6 in CHO cells |
Bioorg Med Chem Lett 19: 5401-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.122
BindingDB Entry DOI: 10.7270/Q25H7GD5 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50318448
(CHEMBL1096768 | N-((S)-3-((3aR,6aS)-5-(2,6-dimethy...)Show SMILES Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H37N3O2/c1-20-8-6-9-21(2)27(20)29(34)32-18-24-16-31(17-25(24)19-32)15-14-26(22-10-4-3-5-11-22)30-28(33)23-12-7-13-23/h3-6,8-11,23-26H,7,12-19H2,1-2H3,(H,30,33)/t24-,25+,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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay |
Bioorg Med Chem Lett 20: 3116-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50319451
((R)-3-(1'-(4,6-dimethylpyrimidine-5-carbonyl)-4'-m...)Show SMILES Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(CCC2CCOCC2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C34H48N6O3/c1-25-31(26(2)36-24-35-25)32(41)37-19-14-34(3,15-20-37)39-17-10-29(11-18-39)40-30(28-7-5-4-6-8-28)23-38(33(40)42)16-9-27-12-21-43-22-13-27/h4-8,24,27,29-30H,9-23H2,1-3H3/t30-/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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 20: 3219-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.077
BindingDB Entry DOI: 10.7270/Q2FT8M63 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50318445
(CHEMBL1096766 | N-((S)-3-((3aR,6aS)-5-(2,6-dimethy...)Show SMILES Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)c3ccccc3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C31H35N3O2/c1-22-10-9-11-23(2)29(22)31(36)34-20-26-18-33(19-27(26)21-34)17-16-28(24-12-5-3-6-13-24)32-30(35)25-14-7-4-8-15-25/h3-15,26-28H,16-21H2,1-2H3,(H,32,35)/t26-,27+,28-/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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay |
Bioorg Med Chem Lett 20: 3116-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50318441
(CHEMBL1096102 | N-((S)-3-((3aR,6aS)-5-(2-chloro-6-...)Show SMILES Cc1cccc(Cl)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H36ClN3O2/c1-20-8-7-13-25(30)27(20)29(35)33-18-23-16-32(17-24(23)19-33)15-14-26(21-9-3-2-4-10-21)31-28(34)22-11-5-6-12-22/h2-4,7-10,13,22-24,26H,5-6,11-12,14-19H2,1H3,(H,31,34)/t23-,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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay |
Bioorg Med Chem Lett 20: 3116-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50318427
(2-(3,3-difluorocyclobutyl)-N-((S)-3-((3aR,6aS)-5-(...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CC(F)(F)C3)c3cccc(F)c3)C[C@@H]2C1 |r| Show InChI InChI=1S/C28H34F3N5O2/c1-17-26(18(2)33-16-32-17)27(38)36-14-21-12-35(13-22(21)15-36)7-6-24(20-4-3-5-23(29)9-20)34-25(37)8-19-10-28(30,31)11-19/h3-5,9,16,19,21-22,24H,6-8,10-15H2,1-2H3,(H,34,37)/t21-,22+,24-/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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay |
Bioorg Med Chem Lett 20: 3116-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50310747
((5S)-5-butyl-9-(1-(2,4-dimethylnicotinoyl)-4-methy...)Show SMILES CCCC[C@H]1CN(CC2CCCCO2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C |r| Show InChI InChI=1S/C32H50N4O4/c1-5-6-9-26-22-35(23-27-10-7-8-21-39-27)30(38)40-32(26)14-19-36(20-15-32)31(4)12-17-34(18-13-31)29(37)28-24(2)11-16-33-25(28)3/h11,16,26-27H,5-10,12-15,17-23H2,1-4H3/t26-,27?/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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Displacement of [125I]RANTES from human CCR5 receptor cotransfected with Galphai6 in CHO cells |
Bioorg Med Chem Lett 19: 5401-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.122
BindingDB Entry DOI: 10.7270/Q25H7GD5 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50310730
(4-butyl-3-(cyclohexylmethyl)-8-(1-(2,6-dimethylben...)Show SMILES CCCCC1N(CC2CCCCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C Show InChI InChI=1S/C33H51N3O3/c1-5-6-15-28-33(39-31(38)36(28)24-27-13-8-7-9-14-27)18-22-35(23-19-33)32(4)16-20-34(21-17-32)30(37)29-25(2)11-10-12-26(29)3/h10-12,27-28H,5-9,13-24H2,1-4H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Displacement of [125I]RANTES from human CCR5 receptor cotransfected with Galphai6 in CHO cells |
Bioorg Med Chem Lett 19: 5401-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.122
BindingDB Entry DOI: 10.7270/Q25H7GD5 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50318449
(CHEMBL1096447 | N-((S)-3-((3aR,6aS)-5-(2,6-dimethy...)Show SMILES CC(C)C(=O)N[C@@H](CCN1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)cccc1C)c1ccccc1 |r| Show InChI InChI=1S/C28H37N3O2/c1-19(2)27(32)29-25(22-11-6-5-7-12-22)13-14-30-15-23-17-31(18-24(23)16-30)28(33)26-20(3)9-8-10-21(26)4/h5-12,19,23-25H,13-18H2,1-4H3,(H,29,32)/t23-,24+,25-/m0/s1 | PDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| 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 |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay |
Bioorg Med Chem Lett 20: 3116-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254720
((4-(7-butyl-9-(morpholinosulfonyl)-3,9-diazaspiro[...)Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C30H50N6O4S/c1-5-6-7-26-22-36(41(38,39)35-18-20-40-21-19-35)17-12-30(26)10-15-34(16-11-30)29(4)8-13-33(14-9-29)28(37)27-24(2)31-23-32-25(27)3/h23,26H,5-22H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| 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 |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50319447
((R)-4,6-dimethyl-5-(4'-methyl-4-(2-oxo-5-phenyl-3-...)Show SMILES Cc1cc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(CC2CCOCC2)C1=O)c1ccccc1)C#N |r| Show InChI InChI=1S/C35H46N6O3/c1-25-21-29(22-36)37-26(2)32(25)33(42)38-17-13-35(3,14-18-38)40-15-9-30(10-16-40)41-31(28-7-5-4-6-8-28)24-39(34(41)43)23-27-11-19-44-20-12-27/h4-8,21,27,30-31H,9-20,23-24H2,1-3H3/t31-/m0/s1 | PDB
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antibodypedia
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| 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 |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 20: 3219-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.077
BindingDB Entry DOI: 10.7270/Q2FT8M63 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50310744
((S)-5-butyl-9-(1-(4,6-dimethyl-2-oxo-2H-pyran-5-ca...)Show SMILES CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(=O)oc1C |r| Show InChI InChI=1S/C32H49N3O6/c1-5-6-7-26-22-34(21-25-8-18-39-19-9-25)30(38)41-32(26)12-16-35(17-13-32)31(4)10-14-33(15-11-31)29(37)28-23(2)20-27(36)40-24(28)3/h20,25-26H,5-19,21-22H2,1-4H3/t26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Displacement of [125I]RANTES from human CCR5 receptor cotransfected with Galphai6 in CHO cells |
Bioorg Med Chem Lett 19: 5401-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.122
BindingDB Entry DOI: 10.7270/Q25H7GD5 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50318432
(CHEMBL1095827 | N-((S)-3-((3aR,6aS)-5-(6-cyano-2,4...)Show SMILES Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1)C#N |r| Show InChI InChI=1S/C30H37N5O2/c1-20-14-26(15-31)32-21(2)28(20)30(37)35-18-24-16-34(17-25(24)19-35)13-12-27(22-8-4-3-5-9-22)33-29(36)23-10-6-7-11-23/h3-5,8-9,14,23-25,27H,6-7,10-13,16-19H2,1-2H3,(H,33,36)/t24-,25+,27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| 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 |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay |
Bioorg Med Chem Lett 20: 3116-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50318428
(2-(4,4-difluorocyclohexyl)-N-((S)-3-((3aR,6aS)-5-(...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CCC(F)(F)CC3)c3cccc(F)c3)C[C@@H]2C1 |r| Show InChI InChI=1S/C30H38F3N5O2/c1-19-28(20(2)35-18-34-19)29(40)38-16-23-14-37(15-24(23)17-38)11-8-26(22-4-3-5-25(31)13-22)36-27(39)12-21-6-9-30(32,33)10-7-21/h3-5,13,18,21,23-24,26H,6-12,14-17H2,1-2H3,(H,36,39)/t23-,24+,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| 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 |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay |
Bioorg Med Chem Lett 20: 3116-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50319442
((R)-4,6-dimethyl-5-(4'-methyl-4-(2-oxo-5-(pyridin-...)Show SMILES Cc1cc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@H](CN(CC2CCOCC2)C1=O)c1ccccn1)C#N |r| Show InChI InChI=1S/C34H45N7O3/c1-24-20-27(21-35)37-25(2)31(24)32(42)38-16-11-34(3,12-17-38)40-14-7-28(8-15-40)41-30(29-6-4-5-13-36-29)23-39(33(41)43)22-26-9-18-44-19-10-26/h4-6,13,20,26,28,30H,7-12,14-19,22-23H2,1-3H3/t30-/m1/s1 | PDB
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B.MOAD
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antibodypedia
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| 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 |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 20: 3219-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.077
BindingDB Entry DOI: 10.7270/Q2FT8M63 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50318429
(2-cyclopentyl-N-((S)-3-((3aR,6aS)-5-(4,6-dimethylp...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CCCC3)c3cccc(F)c3)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H38FN5O2/c1-19-28(20(2)32-18-31-19)29(37)35-16-23-14-34(15-24(23)17-35)11-10-26(22-8-5-9-25(30)13-22)33-27(36)12-21-6-3-4-7-21/h5,8-9,13,18,21,23-24,26H,3-4,6-7,10-12,14-17H2,1-2H3,(H,33,36)/t23-,24+,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay |
Bioorg Med Chem Lett 20: 3116-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50318440
(CHEMBL1097515 | N-((S)-3-((3aR,6aS)-5-(2,6-dichlor...)Show SMILES Clc1cccc(Cl)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C28H33Cl2N3O2/c29-23-11-6-12-24(30)26(23)28(35)33-17-21-15-32(16-22(21)18-33)14-13-25(19-7-2-1-3-8-19)31-27(34)20-9-4-5-10-20/h1-3,6-8,11-12,20-22,25H,4-5,9-10,13-18H2,(H,31,34)/t21-,22+,25-/m0/s1 | PDB
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay |
Bioorg Med Chem Lett 20: 3116-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50318434
(CHEMBL1095517 | N-((S)-3-((3aR,6aS)-5-(4,6-dimethy...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C28H37N5O2/c1-19-26(20(2)30-18-29-19)28(35)33-16-23-14-32(15-24(23)17-33)13-12-25(21-8-4-3-5-9-21)31-27(34)22-10-6-7-11-22/h3-5,8-9,18,22-25H,6-7,10-17H2,1-2H3,(H,31,34)/t23-,24+,25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| 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 |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay |
Bioorg Med Chem Lett 20: 3116-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50334986
(4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...)Show SMILES CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:17:16:9.15.10:13.12| Show InChI InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1 | PDB
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay |
Bioorg Med Chem Lett 20: 3116-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50318450
(CHEMBL1096446 | N-((S)-3-((3aR,6aS)-5-(2,6-dimethy...)Show SMILES CC(=O)N[C@@H](CCN1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)cccc1C)c1ccccc1 |r| Show InChI InChI=1S/C26H33N3O2/c1-18-8-7-9-19(2)25(18)26(31)29-16-22-14-28(15-23(22)17-29)13-12-24(27-20(3)30)21-10-5-4-6-11-21/h4-11,22-24H,12-17H2,1-3H3,(H,27,30)/t22-,23+,24-/m0/s1 | PDB
KEGG
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antibodypedia
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| 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 LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay |
Bioorg Med Chem Lett 20: 3116-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50318443
(CHEMBL1098151 | N-((S)-3-((3aR,6aS)-5-(2,6-dimethy...)Show SMILES Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCOC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H37N3O3/c1-20-7-6-8-21(2)27(20)29(34)32-17-24-15-31(16-25(24)18-32)13-11-26(22-9-4-3-5-10-22)30-28(33)23-12-14-35-19-23/h3-10,23-26H,11-19H2,1-2H3,(H,30,33)/t23?,24-,25+,26-/m0/s1 | PDB
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay |
Bioorg Med Chem Lett 20: 3116-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50310726
(4-butyl-3-(cyclopentylmethyl)-8-(1-(2,6-dimethylbe...)Show SMILES CCCCC1N(CC2CCCC2)C(=O)OC11CCN(CC1)C1CCN(CC1)C(=O)c1c(C)cccc1C Show InChI InChI=1S/C31H47N3O3/c1-4-5-13-27-31(37-30(36)34(27)22-25-11-6-7-12-25)16-20-32(21-17-31)26-14-18-33(19-15-26)29(35)28-23(2)9-8-10-24(28)3/h8-10,25-27H,4-7,11-22H2,1-3H3 | PDB
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| 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 |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Displacement of [125I]RANTES from human CCR5 receptor cotransfected with Galphai6 in CHO cells |
Bioorg Med Chem Lett 19: 5401-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.122
BindingDB Entry DOI: 10.7270/Q25H7GD5 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50318444
(CHEMBL1098150 | N-((S)-3-((3aR,6aS)-5-(2,6-dimethy...)Show SMILES Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)c3ccoc3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H33N3O3/c1-20-7-6-8-21(2)27(20)29(34)32-17-24-15-31(16-25(24)18-32)13-11-26(22-9-4-3-5-10-22)30-28(33)23-12-14-35-19-23/h3-10,12,14,19,24-26H,11,13,15-18H2,1-2H3,(H,30,33)/t24-,25+,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay |
Bioorg Med Chem Lett 20: 3116-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254677
((4-(7-butyl-9-(pyridin-2-ylsulfonyl)-3,9-diazaspir...)Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)c1ccccn1 Show InChI InChI=1S/C31H46N6O3S/c1-5-6-9-26-22-37(41(39,40)27-10-7-8-16-32-27)21-15-31(26)13-19-36(20-14-31)30(4)11-17-35(18-12-30)29(38)28-24(2)33-23-34-25(28)3/h7-8,10,16,23,26H,5-6,9,11-15,17-22H2,1-4H3 | 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 |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254748
((R)-(4-(7-butyl-9-(2,2,2-trifluoroethylsulfonyl)-3...)Show SMILES CCCC[C@H]1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)CC(F)(F)F |r| Show InChI InChI=1S/C28H44F3N5O3S/c1-5-6-7-23-18-36(40(38,39)19-28(29,30)31)17-12-27(23)10-15-35(16-11-27)26(4)8-13-34(14-9-26)25(37)24-21(2)32-20-33-22(24)3/h20,23H,5-19H2,1-4H3/t23-/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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254675
((4-(7-butyl-9-(phenylsulfonyl)-3,9-diazaspiro[5.5]...)Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C32H47N5O3S/c1-5-6-10-27-23-37(41(39,40)28-11-8-7-9-12-28)22-17-32(27)15-20-36(21-16-32)31(4)13-18-35(19-14-31)30(38)29-25(2)33-24-34-26(29)3/h7-9,11-12,24,27H,5-6,10,13-23H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50318437
(CHEMBL1096486 | N-((S)-3-((3aR,6aS)-5-(3,5-dimethy...)Show SMILES Cc1noc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C27H36N4O3/c1-18-25(19(2)34-29-18)27(33)31-16-22-14-30(15-23(22)17-31)13-12-24(20-8-4-3-5-9-20)28-26(32)21-10-6-7-11-21/h3-5,8-9,21-24H,6-7,10-17H2,1-2H3,(H,28,32)/t22-,23+,24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay |
Bioorg Med Chem Lett 20: 3116-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254752
(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4...)Show SMILES CCCCC1C(=O)N(Cc2ccc(F)cc2)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C Show InChI InChI=1S/C33H46FN5O2/c1-5-6-7-28-30(40)38(22-26-8-10-27(34)11-9-26)19-14-33(28)15-20-39(21-16-33)32(4)12-17-37(18-13-32)31(41)29-24(2)35-23-36-25(29)3/h8-11,23,28H,5-7,12-22H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50319448
((R)-3-(1'-(4,6-dimethylpyrimidine-5-carbonyl)-4'-m...)Show SMILES Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(C[C@H]2CC[C@H](O)CC2)C1=O)c1ccccc1 |r,wU:24.41,28.30,wD:31.34,(8.99,-8.35,;8.27,-9.72,;9.1,-11.01,;8.38,-12.38,;6.84,-12.44,;6.02,-11.14,;4.48,-11.2,;6.74,-9.78,;5.92,-8.48,;6.64,-7.12,;4.38,-8.54,;3.66,-9.9,;2.13,-9.96,;1.31,-8.66,;.52,-7.32,;2.01,-7.3,;3.56,-7.24,;-.23,-8.73,;-1.06,-7.42,;-2.6,-7.5,;-3.31,-8.87,;-2.49,-10.17,;-.94,-10.1,;-4.85,-8.94,;-5.81,-7.74,;-7.25,-8.28,;-7.19,-9.82,;-8.52,-10.58,;-8.53,-12.12,;-7.2,-12.89,;-7.21,-14.44,;-8.56,-15.2,;-8.57,-16.74,;-9.88,-14.41,;-9.87,-12.88,;-5.7,-10.23,;-5.16,-11.67,;-5.04,-6.41,;-3.49,-6.42,;-2.72,-5.09,;-3.48,-3.75,;-5.03,-3.75,;-5.8,-5.08,)| Show InChI InChI=1S/C34H48N6O3/c1-24-31(25(2)36-23-35-24)32(42)37-19-15-34(3,16-20-37)39-17-13-28(14-18-39)40-30(27-7-5-4-6-8-27)22-38(33(40)43)21-26-9-11-29(41)12-10-26/h4-8,23,26,28-30,41H,9-22H2,1-3H3/t26-,29-,30-/m0/s1 | PDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 20: 3219-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.077
BindingDB Entry DOI: 10.7270/Q2FT8M63 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50318430
(2-(3,3-difluorocyclobutyl)-N-((S)-3-((3aR,6aS)-5-(...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C28H35F2N5O2/c1-18-26(19(2)32-17-31-18)27(37)35-15-22-13-34(14-23(22)16-35)9-8-24(21-6-4-3-5-7-21)33-25(36)10-20-11-28(29,30)12-20/h3-7,17,20,22-24H,8-16H2,1-2H3,(H,33,36)/t22-,23+,24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| 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 |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay |
Bioorg Med Chem Lett 20: 3116-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50319453
((R)-3-(1'-(4,6-dimethylpyrimidine-5-carbonyl)-4'-m...)Show SMILES Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(CC2CCOCC2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C33H46N6O3/c1-24-30(25(2)35-23-34-24)31(40)36-17-13-33(3,14-18-36)38-15-9-28(10-16-38)39-29(27-7-5-4-6-8-27)22-37(32(39)41)21-26-11-19-42-20-12-26/h4-8,23,26,28-29H,9-22H2,1-3H3/t29-/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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 20: 3219-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.077
BindingDB Entry DOI: 10.7270/Q2FT8M63 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50319446
((R)-4,6-dimethyl-5-(4'-methyl-4-(2-oxo-5-phenyl-3-...)Show SMILES Cc1cc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1)C#N |r| Show InChI InChI=1S/C34H44N6O3/c1-24-21-27(22-35)36-25(2)31(24)32(41)37-17-13-34(3,14-18-37)38-15-9-29(10-16-38)40-30(26-7-5-4-6-8-26)23-39(33(40)42)28-11-19-43-20-12-28/h4-8,21,28-30H,9-20,23H2,1-3H3/t30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 20: 3219-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.077
BindingDB Entry DOI: 10.7270/Q2FT8M63 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254718
((4-(7-butyl-9-(tetrahydro-2H-pyran-4-ylsulfonyl)-3...)Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)C1CCOCC1 Show InChI InChI=1S/C31H51N5O4S/c1-5-6-7-26-22-36(41(38,39)27-8-20-40-21-9-27)19-14-31(26)12-17-35(18-13-31)30(4)10-15-34(16-11-30)29(37)28-24(2)32-23-33-25(28)3/h23,26-27H,5-22H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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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 LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50310743
((S)-5-(4-(5-butyl-3-methyl-2-oxo-1-oxa-3,9-diazasp...)Show SMILES CCCC[C@H]1CN(C)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(nc1C)C#N |r| Show InChI InChI=1S/C28H41N5O3/c1-6-7-8-22-19-31(5)26(35)36-28(22)11-15-33(16-12-28)27(4)9-13-32(14-10-27)25(34)24-20(2)17-23(18-29)30-21(24)3/h17,22H,6-16,19H2,1-5H3/t22-/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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Displacement of [125I]RANTES from human CCR5 receptor cotransfected with Galphai6 in CHO cells |
Bioorg Med Chem Lett 19: 5401-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.122
BindingDB Entry DOI: 10.7270/Q25H7GD5 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254716
((4-(7-butyl-9-(cyclopropylsulfonyl)-3,9-diazaspiro...)Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)C1CC1 Show InChI InChI=1S/C29H47N5O3S/c1-5-6-7-24-20-34(38(36,37)25-8-9-25)19-14-29(24)12-17-33(18-13-29)28(4)10-15-32(16-11-28)27(35)26-22(2)30-21-31-23(26)3/h21,24-25H,5-20H2,1-4H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50319443
((R)-4,6-dimethyl-5-(4'-methyl-4-(3-methyl-2-oxo-5-...)Show SMILES CN1C[C@H](N(C2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cc(nc2C)C#N)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C30H38N6O2/c1-21-18-24(19-31)32-22(2)27(21)28(37)34-16-12-30(3,13-17-34)35-14-10-25(11-15-35)36-26(20-33(4)29(36)38)23-8-6-5-7-9-23/h5-9,18,25-26H,10-17,20H2,1-4H3/t26-/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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 20: 3219-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.077
BindingDB Entry DOI: 10.7270/Q2FT8M63 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50310742
((+/-)-5-(4-(5-butyl-2-oxo-3-((tetrahydro-2H-pyran-...)Show SMILES CCCCC1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(nc1C)C#N Show InChI InChI=1S/C33H49N5O4/c1-5-6-7-27-23-37(22-26-8-18-41-19-9-26)31(40)42-33(27)12-16-38(17-13-33)32(4)10-14-36(15-11-32)30(39)29-24(2)20-28(21-34)35-25(29)3/h20,26-27H,5-19,22-23H2,1-4H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Displacement of [125I]RANTES from human CCR5 receptor cotransfected with Galphai6 in CHO cells |
Bioorg Med Chem Lett 19: 5401-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.122
BindingDB Entry DOI: 10.7270/Q25H7GD5 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50310727
(4-butyl-8-(1-(2,6-dimethylbenzoyl)piperidin-4-yl)-...)Show SMILES CCCCC1N(CC2CCOCC2)C(=O)OC11CCN(CC1)C1CCN(CC1)C(=O)c1c(C)cccc1C Show InChI InChI=1S/C31H47N3O4/c1-4-5-9-27-31(38-30(36)34(27)22-25-12-20-37-21-13-25)14-18-32(19-15-31)26-10-16-33(17-11-26)29(35)28-23(2)7-6-8-24(28)3/h6-8,25-27H,4-5,9-22H2,1-3H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Displacement of [125I]RANTES from human CCR5 receptor cotransfected with Galphai6 in CHO cells |
Bioorg Med Chem Lett 19: 5401-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.122
BindingDB Entry DOI: 10.7270/Q25H7GD5 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50310739
((S)-5-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbony...)Show SMILES CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |r| Show InChI InChI=1S/C31H49N5O4/c1-5-6-7-26-21-35(20-25-8-18-39-19-9-25)29(38)40-31(26)12-16-36(17-13-31)30(4)10-14-34(15-11-30)28(37)27-23(2)32-22-33-24(27)3/h22,25-26H,5-21H2,1-4H3/t26-/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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Displacement of [125I]RANTES from human CCR5 receptor cotransfected with Galphai6 in CHO cells |
Bioorg Med Chem Lett 19: 5401-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.122
BindingDB Entry DOI: 10.7270/Q25H7GD5 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50310737
(5-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4...)Show SMILES CCCCC1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C Show InChI InChI=1S/C31H49N5O4/c1-5-6-7-26-21-35(20-25-8-18-39-19-9-25)29(38)40-31(26)12-16-36(17-13-31)30(4)10-14-34(15-11-30)28(37)27-23(2)32-22-33-24(27)3/h22,25-26H,5-21H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Displacement of [125I]RANTES from human CCR5 receptor cotransfected with Galphai6 in CHO cells |
Bioorg Med Chem Lett 19: 5401-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.122
BindingDB Entry DOI: 10.7270/Q25H7GD5 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254715
((4-(7-butyl-9-(methylsulfonyl)-3,9-diazaspiro[5.5]...)Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(C)(=O)=O Show InChI InChI=1S/C27H45N5O3S/c1-6-7-8-23-19-32(36(5,34)35)18-13-27(23)11-16-31(17-12-27)26(4)9-14-30(15-10-26)25(33)24-21(2)28-20-29-22(24)3/h20,23H,6-19H2,1-5H3 | PDB
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| CHEMBL
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50318426
(CHEMBL1094518 | N-((S)-3-((3aR,6aS)-5-(2-chloro-4,...)Show SMILES Cc1nc(Cl)nc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C28H34ClF2N5O2/c1-17-25(18(2)33-27(29)32-17)26(38)36-15-21-13-35(14-22(21)16-36)9-8-23(20-6-4-3-5-7-20)34-24(37)10-19-11-28(30,31)12-19/h3-7,19,21-23H,8-16H2,1-2H3,(H,34,37)/t21-,22+,23-/m0/s1 | PDB
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Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay |
Bioorg Med Chem Lett 20: 3116-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50319441
(5-(4-((R)-3-((trans-4-ethoxycyclohexyl)methyl)-2-o...)Show SMILES CCO[C@H]1CC[C@H](CN2C[C@@H](N(C3CCN(CC3)C3(C)CCN(CC3)C(=O)c3c(C)cc(nc3C)C#N)C2=O)c2ccccn2)CC1 |r,wU:6.6,wD:10.42,3.2,(15.1,-8.75,;15.11,-7.21,;16.45,-6.45,;16.46,-4.91,;17.8,-4.14,;17.81,-2.6,;16.47,-1.82,;16.47,-.28,;17.81,.48,;17.74,2.02,;19.18,2.56,;20.14,1.36,;21.68,1.43,;22.39,2.8,;23.94,2.88,;24.77,1.57,;24.05,.2,;22.51,.13,;26.3,1.64,;25.52,2.98,;27.12,.34,;28.65,.4,;29.37,1.76,;28.55,3.06,;27.01,3,;30.91,1.82,;31.63,3.18,;31.73,.52,;33.27,.58,;33.98,1.95,;34.09,-.71,;33.37,-2.08,;31.83,-2.14,;31.01,-.84,;29.47,-.9,;34.2,-3.39,;35.02,-4.7,;19.29,.07,;19.83,-1.37,;19.96,3.89,;19.19,5.22,;19.96,6.55,;21.51,6.55,;22.28,5.21,;21.5,3.88,;15.13,-2.59,;15.12,-4.13,)| Show InChI InChI=1S/C37H51N7O3/c1-5-47-31-11-9-28(10-12-31)24-42-25-33(32-8-6-7-17-39-32)44(36(42)46)30-13-18-43(19-14-30)37(4)15-20-41(21-16-37)35(45)34-26(2)22-29(23-38)40-27(34)3/h6-8,17,22,28,30-31,33H,5,9-16,18-21,24-25H2,1-4H3/t28-,31-,33-/m1/s1 | PDB
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PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Binding affinity at CCR5 receptor by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 20: 3219-22 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.077
BindingDB Entry DOI: 10.7270/Q2FT8M63 |
More data for this
Ligand-Target Pair | |
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