Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50005077 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)) | BDBM50096528
(1'-[4-cyclohexyl(methyl)sulfonamido-3-(3,4-dichlor...)Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CCCCC1 Show InChI InChI=1S/C29H38Cl2N2O3S2/c1-32(38(35,36)24-7-3-2-4-8-24)20-23(22-11-12-26(30)27(31)19-22)13-16-33-17-14-29(15-18-33)21-37(34)28-10-6-5-9-25(28)29/h5-6,9-12,19,23-24H,2-4,7-8,13-18,20-21H2,1H3/t23-,37?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50104229
(CHEMBL310780 | N-{(S)-2-(3-Chloro-phenyl)-4-[4-(3-...)Show SMILES CN(C[C@@H](CCN1CCC(CCCc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H39ClN2O2S/c1-33(37(35,36)31-16-6-3-7-17-31)25-29(28-14-9-15-30(32)24-28)20-23-34-21-18-27(19-22-34)13-8-12-26-10-4-2-5-11-26/h2-7,9-11,14-17,24,27,29H,8,12-13,18-23,25H2,1H3/t29-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096524
(CHEMBL88159 | N-[2-(3,4-dichlorophenyl)-4-spiro[2,...)Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C30H34Cl2N2O3S2/c1-33(39(36,37)21-23-7-3-2-4-8-23)20-25(24-11-12-27(31)28(32)19-24)13-16-34-17-14-30(15-18-34)22-38(35)29-10-6-5-9-26(29)30/h2-12,19,25H,13-18,20-22H2,1H3/t25-,38?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096522
(CHEMBL89221 | N-[2-(3,4-dichlorophenyl)-4-spiro[2,...)Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(C)(=O)=O Show InChI InChI=1S/C24H30Cl2N2O3S2/c1-27(33(2,30)31)16-19(18-7-8-21(25)22(26)15-18)9-12-28-13-10-24(11-14-28)17-32(29)23-6-4-3-5-20(23)24/h3-8,15,19H,9-14,16-17H2,1-2H3/t19-,32?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50104232
(CHEMBL83963 | N-{(S)-2-(3-Chloro-phenyl)-4-[4-(4-c...)Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccc(Cl)cc1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H32Cl2N2O2S/c1-31(35(33,34)28-8-3-2-4-9-28)21-25(24-6-5-7-27(30)20-24)16-19-32-17-14-23(15-18-32)22-10-12-26(29)13-11-22/h2-13,20,23,25H,14-19,21H2,1H3/t25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50104220
(1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido...)Show SMILES CN(C[C@@H](CCN1CCC2(CC1)NC(=O)c1ccccc21)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H32ClN3O3S/c1-32(37(35,36)25-10-3-2-4-11-25)21-23(22-8-7-9-24(30)20-22)14-17-33-18-15-29(16-19-33)27-13-6-5-12-26(27)28(34)31-29/h2-13,20,23H,14-19,21H2,1H3,(H,31,34)/t23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096539
(1'-[3-(3,4-dichlorophenyl)-4-[4-methoxyphenyl(meth...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H34Cl2N2O4S2/c1-33(40(36,37)25-10-8-24(38-2)9-11-25)20-23(22-7-12-27(31)28(32)19-22)13-16-34-17-14-30(15-18-34)21-39(35)29-6-4-3-5-26(29)30/h3-12,19,23H,13-18,20-21H2,1-2H3/t23-,39?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096535
(1'-[4-[4-chlorophenyl(methyl)sulfonamido]-3-(3,4-d...)Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H31Cl3N2O3S2/c1-33(39(36,37)24-9-7-23(30)8-10-24)19-22(21-6-11-26(31)27(32)18-21)12-15-34-16-13-29(14-17-34)20-38(35)28-5-3-2-4-25(28)29/h2-11,18,22H,12-17,19-20H2,1H3/t22-,38?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50104228
(CHEMBL79369 | N-[(S)-2-(3-Chloro-phenyl)-4-(4-o-to...)Show SMILES CN(C[C@@H](CCN1CCN(CC1)c1ccccc1C)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H34ClN3O2S/c1-23-9-6-7-14-28(23)32-19-17-31(18-20-32)16-15-25(24-10-8-11-26(29)21-24)22-30(2)35(33,34)27-12-4-3-5-13-27/h3-14,21,25H,15-20,22H2,1-2H3/t25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096512
(1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfona...)Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H32Cl2N2O4S2/c1-32(39(36,37)24-7-3-2-4-8-24)20-23(22-11-12-26(30)27(31)19-22)13-16-33-17-14-29(15-18-33)21-38(34,35)28-10-6-5-9-25(28)29/h2-12,19,23H,13-18,20-21H2,1H3/t23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50487972
(CHEMBL2259883)Show SMILES C\C=C(/C)[C@H](CCN1CCC2(C[S+]([O-])c3ccccc23)CC1)CN(C)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H36N2O3S2/c1-4-22(2)23(20-28(3)34(31,32)24-10-6-5-7-11-24)14-17-29-18-15-27(16-19-29)21-33(30)26-13-9-8-12-25(26)27/h4-13,23H,14-21H2,1-3H3/b22-4+/t23-,33?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096510
(1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfona...)Show SMILES CN(C[C@@H](CCN1CCC2(CSc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H32Cl2N2O2S2/c1-32(37(34,35)24-7-3-2-4-8-24)20-23(22-11-12-26(30)27(31)19-22)13-16-33-17-14-29(15-18-33)21-36-28-10-6-5-9-25(28)29/h2-12,19,23H,13-18,20-21H2,1H3/t23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096530
(1'-[4-[2-chlorophenyl(methyl)sulfonamido]-3-(3,4-d...)Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1Cl Show InChI InChI=1S/C29H31Cl3N2O3S2/c1-33(39(36,37)28-9-5-3-7-25(28)31)19-22(21-10-11-24(30)26(32)18-21)12-15-34-16-13-29(14-17-34)20-38(35)27-8-4-2-6-23(27)29/h2-11,18,22H,12-17,19-20H2,1H3/t22-,38?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096514
(1N-[2-(3,4-dichlorophenyl)-4-spiro[2,3-dihydrobenz...)Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CCCC1 Show InChI InChI=1S/C28H36Cl2N2O3S2/c1-31(37(34,35)23-6-2-3-7-23)19-22(21-10-11-25(29)26(30)18-21)12-15-32-16-13-28(14-17-32)20-36(33)27-9-5-4-8-24(27)28/h4-5,8-11,18,22-23H,2-3,6-7,12-17,19-20H2,1H3/t22-,36?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50487971
(CHEMBL2259884)Show SMILES CN(C[C@@H](CCN1CCC2(CC1)CNC(=O)c1ccccc21)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C30H32Cl2N4O5S/c1-34(42(40,41)24-6-4-5-23(18-24)36(38)39)19-22(21-9-10-27(31)28(32)17-21)11-14-35-15-12-30(13-16-35)20-33-29(37)25-7-2-3-8-26(25)30/h2-10,17-18,22H,11-16,19-20H2,1H3,(H,33,37)/t22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50104233
(CHEMBL83882 | N-[(S)-2-(3-Chloro-phenyl)-4-(4-phen...)Show SMILES CN(C[C@@H](CCN1CCC(CCc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H37ClN2O2S/c1-32(36(34,35)30-13-6-3-7-14-30)24-28(27-11-8-12-29(31)23-27)19-22-33-20-17-26(18-21-33)16-15-25-9-4-2-5-10-25/h2-14,23,26,28H,15-22,24H2,1H3/t28-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096541
(1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido...)Show SMILES CN(C[C@@H](CCN1CCC2(CSc3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H33ClN2O2S2/c1-31(36(33,34)26-10-3-2-4-11-26)21-24(23-8-7-9-25(30)20-23)14-17-32-18-15-29(16-19-32)22-35-28-13-6-5-12-27(28)29/h2-13,20,24H,14-19,21-22H2,1H3/t24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50104231
(CHEMBL79958 | N-[(S)-4-(4-Benzyl-piperidin-1-yl)-2...)Show SMILES CN(C[C@@H](CCN1CCC(Cc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H35ClN2O2S/c1-31(35(33,34)29-13-6-3-7-14-29)23-27(26-11-8-12-28(30)22-26)17-20-32-18-15-25(16-19-32)21-24-9-4-2-5-10-24/h2-14,22,25,27H,15-21,23H2,1H3/t27-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096540
((2S)-2-(3-chlorophenyl)-1-[(N-methyl-N-phenylsulfo...)Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H33ClN2O3S2/c1-31(37(34,35)26-10-3-2-4-11-26)21-24(23-8-7-9-25(30)20-23)14-17-32-18-15-29(16-19-32)22-36(33)28-13-6-5-12-27(28)29/h2-13,20,24H,14-19,21-22H2,1H3/t24-,36?/m1/s1 | PDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096529
(1'-[3-(3,4-dichlorophenyl)-4-methyl(4-nitrophenyl)...)Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C29H31Cl2N3O6S2/c1-32(42(39,40)24-9-7-23(8-10-24)34(35)36)19-22(21-6-11-26(30)27(31)18-21)12-15-33-16-13-29(14-17-33)20-41(37,38)28-5-3-2-4-25(28)29/h2-11,18,22H,12-17,19-20H2,1H3/t22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50104230
(CHEMBL79697 | N-[(S)-2-(3-Chloro-phenyl)-4-(4-phen...)Show SMILES CN(C[C@@H](CCN1CCN(CC1)c1ccccc1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C27H32ClN3O2S/c1-29(34(32,33)27-13-6-3-7-14-27)22-24(23-9-8-10-25(28)21-23)15-16-30-17-19-31(20-18-30)26-11-4-2-5-12-26/h2-14,21,24H,15-20,22H2,1H3/t24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096538
(1'-[3-(3,4-dichlorophenyl)-4-methyl(3-nitrophenyl)...)Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C29H31Cl2N3O6S2/c1-32(42(39,40)24-6-4-5-23(18-24)34(35)36)19-22(21-9-10-26(30)27(31)17-21)11-14-33-15-12-29(13-16-33)20-41(37,38)28-8-3-2-7-25(28)29/h2-10,17-18,22H,11-16,19-20H2,1H3/t22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50104214
(1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido...)Show SMILES CN(C[C@@H](CCN1CCC2(CCc3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H35ClN2O2S/c1-32(36(34,35)28-11-3-2-4-12-28)23-26(25-9-7-10-27(31)22-25)15-19-33-20-17-30(18-21-33)16-14-24-8-5-6-13-29(24)30/h2-13,22,26H,14-21,23H2,1H3/t26-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 899 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096559
(1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido...)Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H33ClN2O4S2/c1-31(38(35,36)26-10-3-2-4-11-26)21-24(23-8-7-9-25(30)20-23)14-17-32-18-15-29(16-19-32)22-37(33,34)28-13-6-5-12-27(28)29/h2-13,20,24H,14-19,21-22H2,1H3/t24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50487970
(CHEMBL2259882)Show SMILES C\C=C(/C)[C@H](CCN1CCC2(C[S+]([O-])c3ccccc23)CC1)CN(C)S(=O)(=O)c1cn(C)cn1 |r| Show InChI InChI=1S/C25H36N4O3S2/c1-5-20(2)21(16-28(4)34(31,32)24-17-27(3)19-26-24)10-13-29-14-11-25(12-15-29)18-33(30)23-9-7-6-8-22(23)25/h5-9,17,19,21H,10-16,18H2,1-4H3/b20-5+/t21-,33?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50487973
(CHEMBL2259881)Show SMILES CN(C[C@@H](CCN1CCC2(C[S+]([O-])c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cncc2ccccc12 |r| Show InChI InChI=1S/C32H33Cl2N3O3S2/c1-36(42(39,40)31-20-35-19-24-6-2-3-7-26(24)31)21-25(23-10-11-28(33)29(34)18-23)12-15-37-16-13-32(14-17-37)22-41(38)30-9-5-4-8-27(30)32/h2-11,18-20,25H,12-17,21-22H2,1H3/t25-,41?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50104217
(CHEMBL431795 | N-{(S)-2-(3-Chloro-phenyl)-4-[4-(2-...)Show SMILES COc1ccccc1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 Show InChI InChI=1S/C29H35ClN2O3S/c1-31(36(33,34)27-11-4-3-5-12-27)22-25(24-9-8-10-26(30)21-24)17-20-32-18-15-23(16-19-32)28-13-6-7-14-29(28)35-2/h3-14,21,23,25H,15-20,22H2,1-2H3/t25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096506
(1'-[3-(3,4-dichlorophenyl)-4-methyl(4-phenylphenyl...)Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C35H36Cl2N2O3S2/c1-38(44(41,42)30-14-11-27(12-15-30)26-7-3-2-4-8-26)24-29(28-13-16-32(36)33(37)23-28)17-20-39-21-18-35(19-22-39)25-43(40)34-10-6-5-9-31(34)35/h2-16,23,29H,17-22,24-25H2,1H3/t29-,43?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096537
(1'-[4-[3-chlorophenyl(methyl)sulfonamido]-3-(3,4-d...)Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C29H31Cl3N2O3S2/c1-33(39(36,37)24-6-4-5-23(30)18-24)19-22(21-9-10-26(31)27(32)17-21)11-14-34-15-12-29(13-16-34)20-38(35)28-8-3-2-7-25(28)29/h2-10,17-18,22H,11-16,19-20H2,1H3/t22-,38?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50104211
(CHEMBL84120 | N-[(S)-2-(3-Chloro-phenyl)-4-(4-o-to...)Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1C)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H35ClN2O2S/c1-23-9-6-7-14-29(23)24-15-18-32(19-16-24)20-17-26(25-10-8-11-27(30)21-25)22-31(2)35(33,34)28-12-4-3-5-13-28/h3-14,21,24,26H,15-20,22H2,1-2H3/t26-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096511
(1'-[3-(3,4-dichlorophenyl)-4-methyl(2-thienyl)sulf...)Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 Show InChI InChI=1S/C27H30Cl2N2O4S3/c1-30(38(34,35)26-7-4-16-36-26)18-21(20-8-9-23(28)24(29)17-20)10-13-31-14-11-27(12-15-31)19-37(32,33)25-6-3-2-5-22(25)27/h2-9,16-17,21H,10-15,18-19H2,1H3/t21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50104216
(1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido...)Show SMILES CN(C[C@@H](CCN1CCC2(CNc3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H34ClN3O2S/c1-32(36(34,35)26-10-3-2-4-11-26)21-24(23-8-7-9-25(30)20-23)14-17-33-18-15-29(16-19-33)22-31-28-13-6-5-12-27(28)29/h2-13,20,24,31H,14-19,21-22H2,1H3/t24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50104225
(1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido...)Show SMILES CN(C[C@@H](CCN1CCC2(CC1)N(C)C(=O)c1ccccc21)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H34ClN3O3S/c1-32(38(36,37)26-11-4-3-5-12-26)22-24(23-9-8-10-25(31)21-23)15-18-34-19-16-30(17-20-34)28-14-7-6-13-27(28)29(35)33(30)2/h3-14,21,24H,15-20,22H2,1-2H3/t24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096517
(1N-[2-(3,4-dichlorophenyl)-4-spiro[2,3-dihydrobenz...)Show SMILES CCCCCCCCS(=O)(=O)N(C)C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H44Cl2N2O3S2/c1-3-4-5-6-7-10-21-40(37,38)34(2)23-26(25-13-14-28(32)29(33)22-25)15-18-35-19-16-31(17-20-35)24-39(36)30-12-9-8-11-27(30)31/h8-9,11-14,22,26H,3-7,10,15-21,23-24H2,1-2H3/t26-,39?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50104219
(CHEMBL82838 | N-{(S)-2-(3-Chloro-phenyl)-4-[4-(3-t...)Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1cccc(c1)C(F)(F)F)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H32ClF3N2O2S/c1-34(38(36,37)28-11-3-2-4-12-28)21-25(24-8-6-10-27(30)20-24)15-18-35-16-13-22(14-17-35)23-7-5-9-26(19-23)29(31,32)33/h2-12,19-20,22,25H,13-18,21H2,1H3/t25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50104218
(CHEMBL83957 | N-{(S)-2-(3-Chloro-phenyl)-4-[4-(4-f...)Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccc(F)cc1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H32ClFN2O2S/c1-31(35(33,34)28-8-3-2-4-9-28)21-25(24-6-5-7-26(29)20-24)16-19-32-17-14-23(15-18-32)22-10-12-27(30)13-11-22/h2-13,20,23,25H,14-19,21H2,1H3/t25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096525
(1'-[3-(3,4-dichlorophenyl)-4-methyl(1-naphthyl)sul...)Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C33H34Cl2N2O3S2/c1-36(42(39,40)32-12-6-8-24-7-2-3-9-27(24)32)22-26(25-13-14-29(34)30(35)21-25)15-18-37-19-16-33(17-20-37)23-41(38)31-11-5-4-10-28(31)33/h2-14,21,26H,15-20,22-23H2,1H3/t26-,41?/m1/s1 | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096518
(1'-[3-(3,4-dichlorophenyl)-4-methyl(dimethylamino)...)Show SMILES CN(C)S(=O)(=O)N(C)C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H33Cl2N3O3S2/c1-28(2)35(32,33)29(3)17-20(19-8-9-22(26)23(27)16-19)10-13-30-14-11-25(12-15-30)18-34(31)24-7-5-4-6-21(24)25/h4-9,16,20H,10-15,17-18H2,1-3H3/t20-,34?/m1/s1 | PDB
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PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096509
(1'-[3-(3,4-dichlorophenyl)-4-methyl(2-naphthyl)sul...)Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C33H34Cl2N2O3S2/c1-36(42(39,40)28-12-10-24-6-2-3-7-25(24)20-28)22-27(26-11-13-30(34)31(35)21-26)14-17-37-18-15-33(16-19-37)23-41(38)32-9-5-4-8-29(32)33/h2-13,20-21,27H,14-19,22-23H2,1H3/t27-,41?/m1/s1 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50104224
(1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido...)Show SMILES CN(C[C@@H](CCN1CCC2(CC(=O)c3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H33ClN2O3S/c1-32(37(35,36)26-10-3-2-4-11-26)22-24(23-8-7-9-25(31)20-23)14-17-33-18-15-30(16-19-33)21-29(34)27-12-5-6-13-28(27)30/h2-13,20,24H,14-19,21-22H2,1H3/t24-/m1/s1 | PDB
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PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096536
(1'-[3-(3,4-dichlorophenyl)-4-methyl(2-thienyl)sulf...)Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 Show InChI InChI=1S/C27H30Cl2N2O3S3/c1-30(37(33,34)26-7-4-16-35-26)18-21(20-8-9-23(28)24(29)17-20)10-13-31-14-11-27(12-15-31)19-36(32)25-6-3-2-5-22(25)27/h2-9,16-17,21H,10-15,18-19H2,1H3/t21-,36?/m1/s1 | PDB
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UniChem
Similars
| Article
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50104221
(1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido...)Show SMILES CN(C[C@@H](CCN1CCC2(Cc3ccccc3O2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H33ClN2O3S/c1-31(36(33,34)27-11-3-2-4-12-27)22-25(23-9-7-10-26(30)20-23)14-17-32-18-15-29(16-19-32)21-24-8-5-6-13-28(24)35-29/h2-13,20,25H,14-19,21-22H2,1H3/t25-/m1/s1 | PDB
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PC cid
PC sid
UniChem
| Article
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50487974
(CHEMBL2263647)Show SMILES CN(C[C@@H](CCN1CCC2(C[S+]([O-])c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2CCCc2c1 |r| Show InChI InChI=1S/C32H36Cl2N2O3S2/c1-35(41(38,39)27-11-9-23-5-4-6-24(23)19-27)21-26(25-10-12-29(33)30(34)20-25)13-16-36-17-14-32(15-18-36)22-40(37)31-8-3-2-7-28(31)32/h2-3,7-12,19-20,26H,4-6,13-18,21-22H2,1H3/t26-,40?/m1/s1 | PDB
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50487969
(CHEMBL2259885)Show SMILES CN(C[C@@H](CCN1CCC2(CC1)CC(=O)Nc1ccccc21)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C30H32Cl2N4O5S/c1-34(42(40,41)24-6-4-5-23(18-24)36(38)39)20-22(21-9-10-26(31)27(32)17-21)11-14-35-15-12-30(13-16-35)19-29(37)33-28-8-3-2-7-25(28)30/h2-10,17-18,22H,11-16,19-20H2,1H3,(H,33,37)/t22-/m1/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096508
(1'-[3-(3,4-dichlorophenyl)-4-methyl(3-pyridyl)sulf...)Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccnc1 Show InChI InChI=1S/C28H31Cl2N3O3S2/c1-32(38(35,36)23-5-4-13-31-18-23)19-22(21-8-9-25(29)26(30)17-21)10-14-33-15-11-28(12-16-33)20-37(34)27-7-3-2-6-24(27)28/h2-9,13,17-18,22H,10-12,14-16,19-20H2,1H3/t22-,37?/m1/s1 | PDB
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| CHEMBL
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PC sid
UniChem
Similars
| Article
| n/a | n/a | 8.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096557
(CHEMBL312701 | N-[(S)-2-(3-Chloro-phenyl)-4-(4-phe...)Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H33ClN2O2S/c1-30(34(32,33)28-13-6-3-7-14-28)22-26(25-11-8-12-27(29)21-25)17-20-31-18-15-24(16-19-31)23-9-4-2-5-10-23/h2-14,21,24,26H,15-20,22H2,1H3/t26-/m1/s1 | PDB
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Similars
| Article
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50096516
(1'-[3-(3,4-dichlorophenyl)-4-methyl(8-quinolyl)sul...)Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc2cccnc12 Show InChI InChI=1S/C32H33Cl2N3O3S2/c1-36(42(39,40)30-10-4-6-23-7-5-16-35-31(23)30)21-25(24-11-12-27(33)28(34)20-24)13-17-37-18-14-32(15-19-37)22-41(38)29-9-3-2-8-26(29)32/h2-12,16,20,25H,13-15,17-19,21-22H2,1H3/t25-,41?/m1/s1 | PDB
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Similars
| Article
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50104226
(1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido...)Show SMILES CN(C[C@@H](CCN1CCC2(CC(O)c3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H35ClN2O3S/c1-32(37(35,36)26-10-3-2-4-11-26)22-24(23-8-7-9-25(31)20-23)14-17-33-18-15-30(16-19-33)21-29(34)27-12-5-6-13-28(27)30/h2-13,20,24,29,34H,14-19,21-22H2,1H3/t24-,29?/m1/s1 | PDB
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Similars
| Article
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor |
Citation and Details
Article DOI: 10.1007/s00044-011-9863-2
BindingDB Entry DOI: 10.7270/Q20Z765N |
More data for this
Ligand-Target Pair | |
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