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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 486.6
BDBM50157033

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))
BDBM50157033
PNG
(2-(3,4-Dimethoxy-phenyl)-N-[1-(3,3-diphenyl-propyl...)
Show SMILES COc1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C31H38N2O3/c1-32(31(34)23-24-14-15-29(35-2)30(22-24)36-3)27-16-19-33(20-17-27)21-18-28(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-15,22,27-28H,16-21,23H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 650n/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