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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 524.6
BDBM50143766

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))
BDBM50143766
PNG
(2-(4-Diphenylamino-4'-methyl-[1,4']bipiperidinyl-1...)
Show SMILES CN(C)C(=O)c1ccccc1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H40N4O2/c1-33(20-24-35(25-21-33)32(39)30-17-11-10-16-29(30)31(38)34(2)3)36-22-18-28(19-23-36)37(26-12-6-4-7-13-26)27-14-8-5-9-15-27/h4-17,28H,18-25H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>100n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against human C-C chemokine receptor type 5.


J Med Chem 47: 1939-55 (2004)


Article DOI: 10.1021/jm031046g
BindingDB Entry DOI: 10.7270/Q2V12478
More data for this
Ligand-Target Pair