Found 62 hits with Last Name = 'lin' and Initial = 'xf' 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | 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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
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
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | 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
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | 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
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
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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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
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| 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
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| 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
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| 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)) | 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
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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
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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)) | 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
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| Article
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| 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)) | 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
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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)) | 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
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| Article
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| 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
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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)) | 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
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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)) | 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
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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)) | 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
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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)) | 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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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 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)) | 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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UniChem
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| 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
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)) | BDBM50318438
(CHEMBL1097816 | N-((S)-3-((3aR,6aS)-5-(4-methoxy-2...)Show SMILES COc1cc(C)c(C(=O)N2C[C@@H]3CN(CC[C@H](NC(=O)C4CCCC4)c4ccccc4)C[C@@H]3C2)c(C)c1 |r| Show InChI InChI=1S/C31H41N3O3/c1-21-15-27(37-3)16-22(2)29(21)31(36)34-19-25-17-33(18-26(25)20-34)14-13-28(23-9-5-4-6-10-23)32-30(35)24-11-7-8-12-24/h4-6,9-10,15-16,24-26,28H,7-8,11-14,17-20H2,1-3H3,(H,32,35)/t25-,26+,28-/m0/s1 | PDB
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PubMed
| n/a | n/a | 26 | 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)) | BDBM50318431
(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)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C30H39F2N5O2/c1-20-28(21(2)34-19-33-20)29(39)37-17-24-15-36(16-25(24)18-37)13-10-26(23-6-4-3-5-7-23)35-27(38)14-22-8-11-30(31,32)12-9-22/h3-7,19,22,24-26H,8-18H2,1-2H3,(H,35,38)/t24-,25+,26-/m0/s1 | PDB
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| 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 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)) | BDBM50254719
((4-(7-butyl-9-(1-methyl-1H-imidazol-4-ylsulfonyl)-...)Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)c1cn(C)cn1 Show InChI InChI=1S/C30H47N7O3S/c1-6-7-8-25-19-37(41(39,40)26-20-34(5)22-33-26)18-13-30(25)11-16-36(17-12-30)29(4)9-14-35(15-10-29)28(38)27-23(2)31-21-32-24(27)3/h20-22,25H,6-19H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | 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)) | BDBM50318425
(2-(3,3-difluorocyclobutyl)-N-((S)-1-(3,5-difluorop...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CC(F)(F)C3)c3cc(F)cc(F)c3)C[C@@H]2C1 |r| Show InChI InChI=1S/C28H33F4N5O2/c1-16-26(17(2)34-15-33-16)27(39)37-13-20-11-36(12-21(20)14-37)4-3-24(19-6-22(29)8-23(30)7-19)35-25(38)5-18-9-28(31,32)10-18/h6-8,15,18,20-21,24H,3-5,9-14H2,1-2H3,(H,35,38)/t20-,21+,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 | 30 | 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)) | BDBM50254751
(7-butyl-3-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4...)Show SMILES CCCCC1C(=O)C(CC2CCOCC2)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C Show InChI InChI=1S/C33H52N4O3/c1-5-6-7-28-30(38)27(22-26-9-20-40-21-10-26)8-11-33(28)14-18-37(19-15-33)32(4)12-16-36(17-13-32)31(39)29-24(2)34-23-35-25(29)3/h23,26-28H,5-22H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | 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)) | BDBM50254750
(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4...)Show SMILES CCCCC1C(=O)N(C[C@H]2CC[C@@H](CC2)OCC)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |r,wU:12.15,wD:9.8,(3.6,-45.74,;2.83,-44.41,;3.61,-43.08,;2.84,-41.74,;3.62,-40.41,;5.14,-40.41,;5.91,-41.75,;5.92,-39.09,;7.46,-39.1,;8.22,-40.44,;7.44,-41.76,;8.19,-43.09,;9.73,-43.11,;10.51,-41.78,;9.75,-40.43,;10.49,-44.45,;9.71,-45.78,;10.47,-47.12,;5.15,-37.76,;3.62,-37.75,;2.85,-39.08,;2.1,-37.74,;.56,-37.74,;-.22,-39.07,;.54,-40.4,;2.08,-40.42,;-1.76,-39.06,;-1.37,-37.56,;-2.52,-37.72,;-4.05,-37.71,;-4.84,-39.03,;-4.08,-40.38,;-2.53,-40.39,;-6.38,-39.02,;-7.14,-37.68,;-7.16,-40.35,;-6.39,-41.67,;-4.85,-41.68,;-7.16,-43,;-8.71,-43,;-9.47,-41.66,;-8.69,-40.33,;-9.45,-38.99,)| Show InChI InChI=1S/C35H57N5O3/c1-6-8-9-30-32(41)39(24-28-10-12-29(13-11-28)43-7-2)21-16-35(30)17-22-40(23-18-35)34(5)14-19-38(20-15-34)33(42)31-26(3)36-25-37-27(31)4/h25,28-30H,6-24H2,1-5H3/t28-,29-,30? | PDB
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UniProtKB/SwissProt
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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 | 30 | 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)) | BDBM50318433
(CHEMBL1095518 | N-((S)-3-((3aR,6aS)-5-(2,4-dimethy...)Show SMILES Cc1cc(=O)[nH]c(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H38N4O3/c1-19-14-26(34)30-20(2)27(19)29(36)33-17-23-15-32(16-24(23)18-33)13-12-25(21-8-4-3-5-9-21)31-28(35)22-10-6-7-11-22/h3-5,8-9,14,22-25H,6-7,10-13,15-18H2,1-2H3,(H,30,34)(H,31,35)/t23-,24+,25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | 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)) | BDBM50254756
(5-(4-(7-butyl-9-((1-hydroxypiperidin-4-yl)methyl)-...)Show SMILES CCCCC1C(=O)N(CC2CCN(O)CC2)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(nc1C)C#N Show InChI InChI=1S/C34H52N6O3/c1-5-6-7-29-31(41)38(24-27-8-15-40(43)16-9-27)19-12-34(29)13-20-39(21-14-34)33(4)10-17-37(18-11-33)32(42)30-25(2)22-28(23-35)36-26(30)3/h22,27,29,43H,5-21,24H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | 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)) | BDBM50318424
(CHEMBL1098665 | N-((S)-1-(3-cyanophenyl)-3-((3aR,6...)Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CC(F)(F)C3)c3cccc(c3)C#N)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H34F2N6O2/c1-18-27(19(2)34-17-33-18)28(39)37-15-23-13-36(14-24(23)16-37)7-6-25(22-5-3-4-20(8-22)12-32)35-26(38)9-21-10-29(30,31)11-21/h3-5,8,17,21,23-25H,6-7,9-11,13-16H2,1-2H3,(H,35,38)/t23-,24+,25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | 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)) | BDBM50254676
((R)-1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbony...)Show SMILES CCCC[C@H]1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(=O)NC |r| Show InChI InChI=1S/C28H46N6O2/c1-6-7-8-23-19-33(26(36)29-5)16-11-28(23)12-17-34(18-13-28)27(4)9-14-32(15-10-27)25(35)24-21(2)30-20-31-22(24)3/h20,23H,6-19H2,1-5H3,(H,29,36)/t23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 35 | 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)) | BDBM50254749
(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4...)Show SMILES CCCCC1C(=O)N(C[C@H]2CC[C@@H](CC2)OC)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |r,wU:12.15,wD:9.8,(24.59,-46.62,;23.83,-45.29,;24.6,-43.96,;23.84,-42.62,;24.61,-41.29,;26.14,-41.29,;26.9,-42.63,;26.91,-39.97,;28.45,-39.98,;29.21,-41.32,;28.43,-42.64,;29.19,-43.97,;30.73,-43.99,;31.51,-42.66,;30.75,-41.31,;31.49,-45.33,;30.71,-46.65,;26.15,-38.64,;24.61,-38.63,;23.85,-39.96,;23.09,-38.62,;21.55,-38.62,;20.78,-39.95,;21.54,-41.28,;23.07,-41.29,;19.24,-39.94,;19.63,-38.44,;18.48,-38.6,;16.94,-38.59,;16.16,-39.91,;16.92,-41.26,;18.46,-41.27,;14.62,-39.9,;13.85,-38.56,;13.84,-41.22,;14.61,-42.55,;16.15,-42.55,;13.84,-43.88,;12.29,-43.88,;11.53,-42.54,;12.3,-41.21,;11.54,-39.87,)| Show InChI InChI=1S/C34H55N5O3/c1-6-7-8-29-31(40)38(23-27-9-11-28(42-5)12-10-27)20-15-34(29)16-21-39(22-17-34)33(4)13-18-37(19-14-33)32(41)30-25(2)35-24-36-26(30)3/h24,27-29H,6-23H2,1-5H3/t27-,28-,29? | PDB
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50318435
(3-((3aR,6aS)-5-((S)-3-(cyclopentanecarboxamido)-3-...)Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H38N4O3/c1-20-12-15-33(36)21(2)27(20)29(35)32-18-24-16-31(17-25(24)19-32)14-13-26(22-8-4-3-5-9-22)30-28(34)23-10-6-7-11-23/h3-5,8-9,12,15,23-26H,6-7,10-11,13-14,16-19H2,1-2H3,(H,30,34)/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 | 44 | 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)) | BDBM50254717
(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4...)Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)N(C)C Show InChI InChI=1S/C28H48N6O3S/c1-7-8-9-24-20-34(38(36,37)31(5)6)19-14-28(24)12-17-33(18-13-28)27(4)10-15-32(16-11-27)26(35)25-22(2)29-21-30-23(25)3/h21,24H,7-20H2,1-6H3 | 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 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)) | BDBM50254754
(CHEMBL501383 | methyl 4-((1-butyl-9-(1-(4,6-dimeth...)Show SMILES CCCCC1C(=O)N(CC2CCN(CC2)C(=O)OC)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C Show InChI InChI=1S/C34H54N6O4/c1-6-7-8-28-30(41)39(23-27-9-16-38(17-10-27)32(43)44-5)20-13-34(28)14-21-40(22-15-34)33(4)11-18-37(19-12-33)31(42)29-25(2)35-24-36-26(29)3/h24,27-28H,6-23H2,1-5H3 | 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 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)) | BDBM50254722
(4-(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl...)Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)C1CCN(CC1)C=O Show InChI InChI=1S/C32H52N6O4S/c1-5-6-7-27-22-38(43(41,42)28-8-15-35(24-39)16-9-28)21-14-32(27)12-19-37(20-13-32)31(4)10-17-36(18-11-31)30(40)29-25(2)33-23-34-26(29)3/h23-24,27-28H,5-22H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 64 | 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)) | BDBM50254755
(1-butyl-3-((1-(2,2-difluoroethyl)piperidin-4-yl)me...)Show SMILES CCCCC1C(=O)N(CC2CCN(CC(F)F)CC2)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C Show InChI InChI=1S/C34H54F2N6O2/c1-5-6-7-28-31(43)41(22-27-8-15-39(16-9-27)23-29(35)36)19-12-34(28)13-20-42(21-14-34)33(4)10-17-40(18-11-33)32(44)30-25(2)37-24-38-26(30)3/h24,27-29H,5-23H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | 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)) | BDBM50254753
(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4...)Show SMILES CCCCC1C(=O)N(C[C@H]2CC[C@H](O)CC2)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |r,wU:12.12,wD:9.8,(3.84,-2.48,;3.07,-1.14,;3.85,.19,;3.08,1.52,;3.86,2.85,;5.38,2.85,;6.15,1.51,;6.16,4.17,;7.7,4.16,;8.46,2.83,;7.68,1.5,;8.43,.17,;9.97,.16,;10.73,-1.18,;10.75,1.49,;9.99,2.83,;5.39,5.5,;3.86,5.51,;3.1,4.18,;2.34,5.52,;.8,5.52,;.02,4.19,;.78,2.86,;2.32,2.85,;-1.52,4.2,;-1.13,5.7,;-2.28,5.54,;-3.81,5.56,;-4.6,4.23,;-3.83,2.89,;-2.29,2.87,;-6.13,4.24,;-6.9,5.59,;-6.91,2.92,;-6.15,1.59,;-4.61,1.59,;-6.92,.26,;-8.46,.26,;-9.23,1.6,;-8.45,2.93,;-9.21,4.27,)| Show InChI InChI=1S/C33H53N5O3/c1-5-6-7-28-30(40)37(22-26-8-10-27(39)11-9-26)19-14-33(28)15-20-38(21-16-33)32(4)12-17-36(18-13-32)31(41)29-24(2)34-23-35-25(29)3/h23,26-28,39H,5-22H2,1-4H3/t26-,27-,28? | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 76 | 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)) | BDBM50254721
(1-(4-(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbo...)Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)C1CCN(CC1)C(C)=O Show InChI InChI=1S/C33H54N6O4S/c1-6-7-8-28-23-39(44(42,43)29-9-16-36(17-10-29)27(4)40)22-15-33(28)13-20-38(21-14-33)32(5)11-18-37(19-12-32)31(41)30-25(2)34-24-35-26(30)3/h24,28-29H,6-23H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 78 | 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)) | BDBM50254757
((4-(9-(cyclopropylsulfonyl)-7-propoxy-3,9-diazaspi...)Show SMILES CCCOC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)C1CC1 Show InChI InChI=1S/C28H45N5O4S/c1-5-18-37-24-19-33(38(35,36)23-6-7-23)17-12-28(24)10-15-32(16-11-28)27(4)8-13-31(14-9-27)26(34)25-21(2)29-20-30-22(25)3/h20,23-24H,5-19H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 80 | 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 | |
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