Found 47 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197753
((2E)-2-(1-{5-bromo-2-[(4-cyanobenzyl)oxy]-3-methox...)Show SMILES [#6]-[#8]-c1cc(Br)cc(-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7])c1-[#8]-[#6]-c1ccc(cc1)C#N |w:10.10| Show InChI InChI=1S/C18H18BrN5O2/c1-11(23-24-18(21)22)15-7-14(19)8-16(25-2)17(15)26-10-13-5-3-12(9-20)4-6-13/h3-8H,10H2,1-2H3,(H4,21,22,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197787
((2E)-2-(1-{5-chloro-2-[(4-chlorobenzyl)oxy]phenyl}...)Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(Cl)ccc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:2.2| Show InChI InChI=1S/C16H16Cl2N4O/c1-10(21-22-16(19)20)14-8-13(18)6-7-15(14)23-9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H4,19,20,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197781
((2E)-2-(1-{5-bromo-2-[(4-chlorobenzyl)oxy]phenyl}e...)Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(Br)ccc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:2.2| Show InChI InChI=1S/C16H16BrClN4O/c1-10(21-22-16(19)20)14-8-12(17)4-7-15(14)23-9-11-2-5-13(18)6-3-11/h2-8H,9H2,1H3,(H4,19,20,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197793
((2E)-2-(1-{5-bromo-2-[(4-chlorobenzyl)oxy]-3-metho...)Show SMILES [#6]-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(Br)cc(-[#8]-[#6])c1-[#8]-[#6]-c1ccc(Cl)cc1 |w:3.3| Show InChI InChI=1S/C18H20BrClN4O2/c1-3-15(23-24-18(21)22)14-8-12(19)9-16(25-2)17(14)26-10-11-4-6-13(20)7-5-11/h4-9H,3,10H2,1-2H3,(H4,21,22,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197775
((2E)-2-{5-bromo-2-[(4-cyanobenzyl)oxy]benzylidene}...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Br)ccc1-[#8]-[#6]-c1ccc(cc1)C#N |w:5.5| Show InChI InChI=1S/C16H14BrN5O/c17-14-5-6-15(13(7-14)9-21-22-16(19)20)23-10-12-3-1-11(8-18)2-4-12/h1-7,9H,10H2,(H4,19,20,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197759
((2E)-2-{5-bromo-2-[(4-methylbenzyl)oxy]benzylidene...)Show SMILES [#6]-c1ccc(-[#6]-[#8]-c2ccc(Br)cc2-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc1 |w:14.14| Show InChI InChI=1S/C16H17BrN4O/c1-11-2-4-12(5-3-11)10-22-15-7-6-14(17)8-13(15)9-20-21-16(18)19/h2-9H,10H2,1H3,(H4,18,19,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197769
((2E)-2-{5-bromo-2-[(4-bromobenzyl)oxy]benzylidene}...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Br)ccc1-[#8]-[#6]-c1ccc(Br)cc1 |w:5.5| Show InChI InChI=1S/C15H14Br2N4O/c16-12-3-1-10(2-4-12)9-22-14-6-5-13(17)7-11(14)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197772
((2-(4-chlorobenzyloxy)-5-bromophenyl)-N,N-dimethyl...)Show InChI InChI=1S/C16H17BrClNO/c1-19(2)10-13-9-14(17)5-8-16(13)20-11-12-3-6-15(18)7-4-12/h3-9H,10-11H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197795
((2E)-2-{2-[(4-chlorobenzyl)oxy]-5-cyanobenzylidene...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(ccc1-[#8]-[#6]-c1ccc(Cl)cc1)C#N |w:5.5| Show InChI InChI=1S/C16H14ClN5O/c17-14-4-1-11(2-5-14)10-23-15-6-3-12(8-18)7-13(15)9-21-22-16(19)20/h1-7,9H,10H2,(H4,19,20,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197767
((2E)-2-{5-chloro-2-[(4-chlorobenzyl)oxy]benzyliden...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Cl)ccc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:5.5| Show InChI InChI=1S/C15H14Cl2N4O/c16-12-3-1-10(2-4-12)9-22-14-6-5-13(17)7-11(14)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197765
((2E)-2-{5-bromo-2-[(4-methoxybenzyl)oxy]benzyliden...)Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#8]-c2ccc(Br)cc2-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc1 |w:15.15| Show InChI InChI=1S/C16H17BrN4O2/c1-22-14-5-2-11(3-6-14)10-23-15-7-4-13(17)8-12(15)9-20-21-16(18)19/h2-9H,10H2,1H3,(H4,18,19,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197763
((E)-1-(2-(4-chlorobenzyloxy)-5-bromobenzylidene)-2...)Show SMILES Clc1ccc(-[#6]-[#8]-c2ccc(Br)cc2-[#6]=[#7]\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)cc1 |w:14.14| Show InChI InChI=1S/C17H16BrClN4O/c18-14-3-6-16(24-11-12-1-4-15(19)5-2-12)13(9-14)10-22-23-17-20-7-8-21-17/h1-6,9-10H,7-8,11H2,(H2,20,21,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197766
((2E)-2-{5-bromo-2-[(4-fluorobenzyl)oxy]benzylidene...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Br)ccc1-[#8]-[#6]-c1ccc(F)cc1 |w:5.5| Show InChI InChI=1S/C15H14BrFN4O/c16-12-3-6-14(11(7-12)8-20-21-15(18)19)22-9-10-1-4-13(17)5-2-10/h1-8H,9H2,(H4,18,19,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197794
((2E)-2-{5-bromo-2-[(4-chlorobenzyl)oxy]benzylidene...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Br)ccc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:5.5| Show InChI InChI=1S/C15H14BrClN4O/c16-12-3-6-14(11(7-12)8-20-21-15(18)19)22-9-10-1-4-13(17)5-2-10/h1-8H,9H2,(H4,18,19,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197770
((2E)-2-{5-bromo-2-[(4-nitrobenzyl)oxy]benzylidene}...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Br)ccc1-[#8]-[#6]-c1ccc(cc1)-[#7+](-[#8-])=O |w:5.5| Show InChI InChI=1S/C15H14BrN5O3/c16-12-3-6-14(11(7-12)8-19-20-15(17)18)24-9-10-1-4-13(5-2-10)21(22)23/h1-8H,9H2,(H4,17,18,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197788
(4-(2-(4-chlorobenzyloxy)-5-bromobenzyl)morpholine ...)Show InChI InChI=1S/C18H19BrClNO2/c19-16-3-6-18(23-13-14-1-4-17(20)5-2-14)15(11-16)12-21-7-9-22-10-8-21/h1-6,11H,7-10,12-13H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197792
(1-[(E)-{[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Br)ccc1-[#8]-[#6]-c1cccc2ccccc12 |w:5.5| Show InChI InChI=1S/C19H17BrN4O/c20-16-8-9-18(15(10-16)11-23-24-19(21)22)25-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2,(H4,21,22,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197776
((2E)-2-{2-[(4-chlorobenzyl)oxy]-5-nitrobenzylidene...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(ccc1-[#8]-[#6]-c1ccc(Cl)cc1)-[#7+](-[#8-])=O |w:5.5| Show InChI InChI=1S/C15H14ClN5O3/c16-12-3-1-10(2-4-12)9-24-14-6-5-13(21(22)23)7-11(14)8-19-20-15(17)18/h1-8H,9H2,(H4,17,18,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197768
(CHEMBL241251 | methyl 4-{[2-((E)-{[amino(imino)met...)Show SMILES [#6]-[#8]-[#6](=O)-c1ccc(-[#6]-[#8]-c2ccc(Br)cc2-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc1 |w:17.17| Show InChI InChI=1S/C17H17BrN4O3/c1-24-16(23)12-4-2-11(3-5-12)10-25-15-7-6-14(18)8-13(15)9-21-22-17(19)20/h2-9H,10H2,1H3,(H4,19,20,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197778
(CHEMBL234634 | N-(2-(4-chlorobenzyloxy)-5-bromoben...)Show InChI InChI=1S/C18H21BrClNO/c1-3-21(4-2)12-15-11-16(19)7-10-18(15)22-13-14-5-8-17(20)9-6-14/h5-11H,3-4,12-13H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197757
(CHEMBL238949 | methyl 3-{[2-((E)-{[amino(imino)met...)Show SMILES [#6]-[#8]-[#6](=O)-c1cccc(-[#6]-[#8]-c2ccc(Br)cc2-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1 |w:18.18| Show InChI InChI=1S/C17H17BrN4O3/c1-24-16(23)12-4-2-3-11(7-12)10-25-15-6-5-14(18)8-13(15)9-21-22-17(19)20/h2-9H,10H2,1H3,(H4,19,20,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197782
((2E)-2-{5-bromo-2-[(3-methylbenzyl)oxy]benzylidene...)Show SMILES [#6]-c1cccc(-[#6]-[#8]-c2ccc(Br)cc2-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1 |w:15.15| Show InChI InChI=1S/C16H17BrN4O/c1-11-3-2-4-12(7-11)10-22-15-6-5-14(17)8-13(15)9-20-21-16(18)19/h2-9H,10H2,1H3,(H4,18,19,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197785
((2E)-2-{5-bromo-2-[(3-nitrobenzyl)oxy]benzylidene}...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Br)ccc1-[#8]-[#6]-c1cccc(c1)-[#7+](-[#8-])=O |w:5.5| Show InChI InChI=1S/C15H14BrN5O3/c16-12-4-5-14(11(7-12)8-19-20-15(17)18)24-9-10-2-1-3-13(6-10)21(22)23/h1-8H,9H2,(H4,17,18,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197786
((2E)-2-[2-(1,1'-biphenyl-4-ylmethoxy)-5-bromobenzy...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Br)ccc1-[#8]-[#6]-c1ccc(cc1)-c1ccccc1 |w:5.5| Show InChI InChI=1S/C21H19BrN4O/c22-19-10-11-20(18(12-19)13-25-26-21(23)24)27-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13H,14H2,(H4,23,24,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197791
((2E)-2-[2-(benzyloxy)-5-bromobenzylidene]hydrazine...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Br)ccc1-[#8]-[#6]-c1ccccc1 |w:5.5| Show InChI InChI=1S/C15H15BrN4O/c16-13-6-7-14(12(8-13)9-19-20-15(17)18)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H4,17,18,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197762
((2E)-2-{5-bromo-2-[(3-cyanobenzyl)oxy]benzylidene}...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Br)ccc1-[#8]-[#6]-c1cccc(c1)C#N |w:5.5| Show InChI InChI=1S/C16H14BrN5O/c17-14-4-5-15(13(7-14)9-21-22-16(19)20)23-10-12-3-1-2-11(6-12)8-18/h1-7,9H,10H2,(H4,19,20,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197773
((E)-1-(2-(4-chlorobenzyloxy)-5-bromobenzylidene)-2...)Show SMILES Clc1ccc(COc2ccc(Br)cc2C=NNC2=NCCCN2)cc1 |w:14.14,t:18| Show InChI InChI=1S/C18H18BrClN4O/c19-15-4-7-17(25-12-13-2-5-16(20)6-3-13)14(10-15)11-23-24-18-21-8-1-9-22-18/h2-7,10-11H,1,8-9,12H2,(H2,21,22,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197777
((2E)-2-(2-{[4-(benzyloxy)benzyl]oxy}-5-bromobenzyl...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Br)ccc1-[#8]-[#6]-c1ccc(-[#8]-[#6]-c2ccccc2)cc1 |w:5.5| Show InChI InChI=1S/C22H21BrN4O2/c23-19-8-11-21(18(12-19)13-26-27-22(24)25)29-15-17-6-9-20(10-7-17)28-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H4,24,25,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197761
((2E)-2-{3,5-dichloro-2-[(4-chlorobenzyl)oxy]benzyl...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Cl)cc(Cl)c1-[#8]-[#6]-c1ccc(Cl)cc1 |w:5.5| Show InChI InChI=1S/C15H13Cl3N4O/c16-11-3-1-9(2-4-11)8-23-14-10(7-21-22-15(19)20)5-12(17)6-13(14)18/h1-7H,8H2,(H4,19,20,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197789
((2E)-2-{2-[(4-chlorobenzyl)oxy]-5-fluorobenzyliden...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(F)ccc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:5.5| Show InChI InChI=1S/C15H14ClFN4O/c16-12-3-1-10(2-4-12)9-22-14-6-5-13(17)7-11(14)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197760
(1-[(E)-({5-bromo-2-[(2,4-difluorophenyl)methoxy]ph...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Br)ccc1-[#8]-[#6]-c1ccc(F)cc1F |w:5.5| Show InChI InChI=1S/C15H13BrF2N4O/c16-11-2-4-14(10(5-11)7-21-22-15(19)20)23-8-9-1-3-12(17)6-13(9)18/h1-7H,8H2,(H4,19,20,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197779
((2E)-2-(1-{5-chloro-2-[(4-fluorobenzyl)oxy]phenyl}...)Show SMILES [#6]-[#6]-[#6]-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(Cl)ccc1-[#8]-[#6]-c1ccc(F)cc1 |w:5.5| Show InChI InChI=1S/C19H22ClFN4O/c1-2-3-4-17(24-25-19(22)23)16-11-14(20)7-10-18(16)26-12-13-5-8-15(21)9-6-13/h5-11H,2-4,12H2,1H3,(H4,22,23,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197780
((2E)-2-{5-bromo-2-[(2-nitrobenzyl)oxy]benzylidene}...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Br)ccc1-[#8]-[#6]-c1ccccc1-[#7+](-[#8-])=O |w:5.5| Show InChI InChI=1S/C15H14BrN5O3/c16-12-5-6-14(11(7-12)8-19-20-15(17)18)24-9-10-3-1-2-4-13(10)21(22)23/h1-8H,9H2,(H4,17,18,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197749
((2Z)-2-(1-{5-chloro-2-[(4-chlorobenzyl)oxy]phenyl}...)Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])-c1cc(Cl)ccc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:2.2| Show InChI InChI=1S/C16H16Cl2N4O/c1-10(21-22-16(19)20)14-8-13(18)6-7-15(14)23-9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H4,19,20,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197784
(1-[(E)-({5-bromo-2-[(2-methoxy-5-nitrophenyl)metho...)Show SMILES [#6]-[#8]-c1ccc(cc1-[#6]-[#8]-c1ccc(Br)cc1-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])-[#7+](-[#8-])=O |w:17.18| Show InChI InChI=1S/C16H16BrN5O4/c1-25-14-5-3-13(22(23)24)7-11(14)9-26-15-4-2-12(17)6-10(15)8-20-21-16(18)19/h2-8H,9H2,1H3,(H4,18,19,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197774
((E)-2-(2-(4-chlorobenzyloxy)-5-bromobenzylidene)-1...)Show SMILES CN(\N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C1=NCCN1 |t:22| Show InChI InChI=1S/C18H18BrClN4O/c1-24(18-21-8-9-22-18)23-11-14-10-15(19)4-7-17(14)25-12-13-2-5-16(20)6-3-13/h2-7,10-11H,8-9,12H2,1H3,(H,21,22)/b23-11+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197783
((2E)-2-{4-chloro-2-[(4-chlorobenzyl)oxy]benzyliden...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(Cl)cc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:5.5| Show InChI InChI=1S/C15H14Cl2N4O/c16-12-4-1-10(2-5-12)9-22-14-7-13(17)6-3-11(14)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197764
((2E)-2-{3-chloro-2-[(4-chlorobenzyl)oxy]benzyliden...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cccc(Cl)c1-[#8]-[#6]-c1ccc(Cl)cc1 |w:5.5| Show InChI InChI=1S/C15H14Cl2N4O/c16-12-6-4-10(5-7-12)9-22-14-11(2-1-3-13(14)17)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197758
((2E)-2-[2-[(4-chlorobenzyl)oxy]-5-(diethylamino)be...)Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-c1ccc(-[#8]-[#6]-c2ccc(Cl)cc2)c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1 |w:19.19| Show InChI InChI=1S/C19H24ClN5O/c1-3-25(4-2)17-9-10-18(15(11-17)12-23-24-19(21)22)26-13-14-5-7-16(20)8-6-14/h5-12H,3-4,13H2,1-2H3,(H4,21,22,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197756
(CHEMBL391128 | methyl 3-((E)-{[amino(imino)methyl]...)Show SMILES [#6]-[#8]-[#6](=O)-c1ccc(-[#8]-[#6]-c2ccc(Cl)cc2)c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1 |w:18.18| Show InChI InChI=1S/C17H17ClN4O3/c1-24-16(23)12-4-7-15(13(8-12)9-21-22-17(19)20)25-10-11-2-5-14(18)6-3-11/h2-9H,10H2,1H3,(H4,19,20,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197751
((2E)-2-{2-[(4-chlorobenzyl)oxy]benzylidene}hydrazi...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccccc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:5.5| Show InChI InChI=1S/C15H15ClN4O/c16-13-7-5-11(6-8-13)10-21-14-4-2-1-3-12(14)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197755
((2E)-2-(1-{5-chloro-2-[(4-fluorobenzyl)oxy]phenyl}...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(Cl)ccc1-[#8]-[#6]-c1ccc(F)cc1 |w:5.5| Show InChI InChI=1S/C19H22ClFN4O/c1-12(2)9-17(24-25-19(22)23)16-10-14(20)5-8-18(16)26-11-13-3-6-15(21)7-4-13/h3-8,10,12H,9,11H2,1-2H3,(H4,22,23,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197752
((2E)-2-{5-amino-2-[(4-chlorobenzyl)oxy]benzylidene...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(-[#7])ccc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:5.5| Show InChI InChI=1S/C15H16ClN5O/c16-12-3-1-10(2-4-12)9-22-14-6-5-13(17)7-11(14)8-20-21-15(18)19/h1-8H,9,17H2,(H4,18,19,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197750
((2E)-2-{5-tert-butyl-2-[(4-chlorobenzyl)oxy]benzyl...)Show SMILES [#6]C([#6])([#6])c1ccc(-[#8]-[#6]-c2ccc(Cl)cc2)c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1 |w:18.18| Show InChI InChI=1S/C19H23ClN4O/c1-19(2,3)15-6-9-17(14(10-15)11-23-24-18(21)22)25-12-13-4-7-16(20)8-5-13/h4-11H,12H2,1-3H3,(H4,21,22,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197754
((2E)-2-{5-bromo-2-[(4-chlorobenzyl)oxy]-3-methoxyb...)Show SMILES [#6]-[#8]-c1cc(Br)cc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1-[#8]-[#6]-c1ccc(Cl)cc1 |w:8.7| Show InChI InChI=1S/C16H16BrClN4O2/c1-23-14-7-12(17)6-11(8-21-22-16(19)20)15(14)24-9-10-2-4-13(18)5-3-10/h2-8H,9H2,1H3,(H4,19,20,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197771
((2E)-2-{2-[(4-chlorobenzyl)oxy]-3-fluorobenzyliden...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cccc(F)c1-[#8]-[#6]-c1ccc(Cl)cc1 |w:5.5| Show InChI InChI=1S/C15H14ClFN4O/c16-12-6-4-10(5-7-12)9-22-14-11(2-1-3-13(14)17)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50197790
(3-{[2-((E)-{[amino(imino)methyl]hydrazono}methyl)-...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Br)ccc1-[#8]-[#6]-c1cccc(c1)-[#6](-[#8])=O |w:5.5| Show InChI InChI=1S/C16H15BrN4O3/c17-13-4-5-14(12(7-13)8-20-21-16(18)19)24-9-10-2-1-3-11(6-10)15(22)23/h1-8H,9H2,(H,22,23)(H4,18,19,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 231-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.052
BindingDB Entry DOI: 10.7270/Q2FQ9W8N |
More data for this
Ligand-Target Pair | |
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