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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 = 50141975   
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))
BDBM50141975
PNG
((R)-2-[(2S,3S)-3-{4-[5-(4-Ethoxy-benzyl)-2-ethyl-2...)
Show SMILES CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H](C(C)C)C(O)=O)CC3)n(CC)n2)cc1
Show InChI InChI=1S/C35H47FN4O3/c1-5-40-33(20-30(37-40)18-25-10-12-31(13-11-25)43-6-2)26-14-16-38(17-15-26)21-28-22-39(34(24(3)4)35(41)42)23-32(28)27-8-7-9-29(36)19-27/h7-13,19-20,24,26,28,32,34H,5-6,14-18,21-23H2,1-4H3,(H,41,42)/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 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