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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Monomerid = 50096550   
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))
BDBM50096550
PNG
(1'-[4-methyl(phenyl)sulfonamido-3-(2-thienyl)butyl...)
Show SMILES CN(CC(CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1cccs1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H32N2O4S3/c1-28(36(32,33)23-8-3-2-4-9-23)20-22(25-11-7-19-34-25)13-16-29-17-14-27(15-18-29)21-35(30,31)26-12-6-5-10-24(26)27/h2-12,19,22H,13-18,20-21H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against specific binding of [125I]-MIP-1 alpha to human CCR5 receptor.


Bioorg Med Chem Lett 11: 265-70 (2001)


Article DOI: 10.1016/s0960-894x(00)00639-9
BindingDB Entry DOI: 10.7270/Q2668CFZ
More data for this
Ligand-Target Pair