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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 = 50142003   
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))
BDBM50142003
PNG
((R)-2-[(2S,3S)-3-{4-[5-(3-Ethoxy-benzyl)-2-ethyl-2...)
Show SMILES CCOc1cccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@@H](C(O)=O)C(C)(C)C)CC3)n(CC)n2)c1
Show InChI InChI=1S/C36H49FN4O3/c1-6-41-33(21-30(38-41)18-25-10-8-13-31(19-25)44-7-2)26-14-16-39(17-15-26)22-28-23-40(34(35(42)43)36(3,4)5)24-32(28)27-11-9-12-29(37)20-27/h8-13,19-21,26,28,32,34H,6-7,14-18,22-24H2,1-5H3,(H,42,43)/t28-,32+,34-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.400n/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