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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 = 50141899   
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))
BDBM50141899
PNG
((R)-Cyclohexyl-[(2S,3S)-3-{4-[5-(4-ethoxy-benzyl)-...)
Show SMILES CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H](C4CCCCC4)C(O)=O)CC3)n(CC)n2)cc1
Show InChI InChI=1S/C38H51FN4O3/c1-3-43-36(23-33(40-43)21-27-13-15-34(16-14-27)46-4-2)28-17-19-41(20-18-28)24-31-25-42(26-35(31)30-11-8-12-32(39)22-30)37(38(44)45)29-9-6-5-7-10-29/h8,11-16,22-23,28-29,31,35,37H,3-7,9-10,17-21,24-26H2,1-2H3,(H,44,45)/t31-,35+,37+/m0/s1
PDB

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Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration for displacement of [125I]-MIP-1 alpha from recombinant human CC chemokine receptor 5 (CCR5) expressed in CHO cell


Bioorg Med Chem Lett 14: 947-52 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.006
BindingDB Entry DOI: 10.7270/Q2F18Z5V
More data for this
Ligand-Target Pair