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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 532.7
BDBM50156996

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))
BDBM50156996
PNG
(2-(4-Benzyloxy-phenyl)-N-[1-(3,3-diphenyl-propyl)-...)
Show SMILES CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C36H40N2O2/c1-37(36(39)27-29-17-19-34(20-18-29)40-28-30-11-5-2-6-12-30)33-21-24-38(25-22-33)26-23-35(31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-20,33,35H,21-28H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.50E+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