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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 441.6
BDBM50157031

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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))
BDBM50157031
PNG
(1-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-1-methy...)
Show SMILES CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C29H35N3O/c1-23-10-9-15-26(22-23)30-29(33)31(2)27-16-19-32(20-17-27)21-18-28(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-15,22,27-28H,16-21H2,1-2H3,(H,30,33)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...


Bioorg Med Chem Lett 15: 25-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.044
BindingDB Entry DOI: 10.7270/Q2833RJJ
More data for this
Ligand-Target Pair