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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 = 50096560   
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))
BDBM50096560
PNG
(CHEMBL316280 | N-[2-(3-Methoxy-phenyl)-4-(4-phenyl...)
Show SMILES COc1cccc(c1)C(CCN1CCC(CC1)c1ccccc1)CN(C)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H36N2O3S/c1-30(35(32,33)29-14-7-4-8-15-29)23-27(26-12-9-13-28(22-26)34-2)18-21-31-19-16-25(17-20-31)24-10-5-3-6-11-24/h3-15,22,25,27H,16-21,23H2,1-2H3
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Similars

Article
PubMed
n/an/a>1.00E+3n/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