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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 Ligand = 'BDBM50252444'   
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))		BDBM50252444
PNG
(CHEMBL4095900)
Show SMILES CC(C)CN1CC(=Cc2c(cccc2[N+]([O-])=O)C1=O)C(=O)Nc1ccc(CN(C)C2CCOCC2)cc1 |c:6|
Show InChI InChI=1S/C28H34N4O5/c1-19(2)16-31-18-21(15-25-24(28(31)34)5-4-6-26(25)32(35)36)27(33)29-22-9-7-20(8-10-22)17-30(3)23-11-13-37-14-12-23/h4-10,15,19,23H,11-14,16-18H2,1-3H3,(H,29,33)
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PC cid
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Patents

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