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BDBM50252442 CHEMBL4089329

SMILES: CC(C)CN1CC(=Cc2ccc(NS(C)(=O)=O)cc2C1=O)C(=O)Nc1ccc(CN(C)C2CCOCC2)cc1

InChI Key: InChIKey=CVXKZZXEKNEZQM-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50252442   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CCR5/mu opioid receptor complex


(Homo sapiens (Human))
BDBM50252442
PNG
(CHEMBL4089329)
Show SMILES CC(C)CN1CC(=Cc2ccc(NS(C)(=O)=O)cc2C1=O)C(=O)Nc1ccc(CN(C)C2CCOCC2)cc1 |c:6|
Show InChI InChI=1S/C29H38N4O5S/c1-20(2)17-33-19-23(15-22-7-10-25(31-39(4,36)37)16-27(22)29(33)35)28(34)30-24-8-5-21(6-9-24)18-32(3)26-11-13-38-14-12-26/h5-10,15-16,20,26,31H,11-14,17-19H2,1-4H3,(H,30,34)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/an/an/a>10n/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster, Corrensstraße 48, D-48149 Münster, Germany.

Curated by ChEMBL


Assay Description
Displacement of [125I]RANTES from human CCR5 expressed in CHO cells after 40 mins by scintillation counting analysis


Eur J Med Chem 135: 401-413 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.046
BindingDB Entry DOI: 10.7270/Q2Z60RH6
More data for this
Ligand-Target Pair