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Target
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Ki
IC50
Kd
EC50
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ΔH°
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 354.6
BDBM50197772
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
3
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
C-C chemokine receptor type 5
(Homo sapiens (Human))
BDBM50197772
((2-(4-chlorobenzyloxy)-5-bromophenyl)-N,N-dimethyl...)
Show SMILES
CN(C)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1
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))
BDBM50197772
((2-(4-chlorobenzyloxy)-5-bromophenyl)-N,N-dimethyl...)
Show SMILES
CN(C)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1
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
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/s00044-012-0118-7
BindingDB Entry DOI:
10.7270/Q24J0J1F
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 SMILES
CN(C)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1
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 receptor expressed in HEK293 cells coexpressing CD4
Bioorg Med Chem Lett
17:
1883
-
7
(2007)
Article DOI:
10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI:
10.7270/Q29Z94KR
More data for this
Ligand-Target Pair