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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50205753'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50205753
PNG
(1-(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidi...)
Show SMILES Clc1ccc(COc2ccc(Br)cc2CN2CCC(CC2)N2CCNCC2)cc1
Show InChI InChI=1S/C23H29BrClN3O/c24-20-3-6-23(29-17-18-1-4-21(25)5-2-18)19(15-20)16-27-11-7-22(8-12-27)28-13-9-26-10-14-28/h1-6,15,22,26H,7-14,16-17H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 350n/an/an/an/an/an/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))
BDBM50205753
PNG
(1-(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidi...)
Show SMILES Clc1ccc(COc2ccc(Br)cc2CN2CCC(CC2)N2CCNCC2)cc1
Show InChI InChI=1S/C23H29BrClN3O/c24-20-3-6-23(29-17-18-1-4-21(25)5-2-18)19(15-20)16-27-11-7-22(8-12-27)28-13-9-26-10-14-28/h1-6,15,22,26H,7-14,16-17H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/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