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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 = 'BDBM50165085'   
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))
BDBM50165085
PNG
((R)-3-Cyclobutyl-2-[(3S,4S)-3-[4-(6,8-dichloro-imi...)
Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc3c(Cl)cc(Cl)cn23)[C@H](C1)c1cccc(F)c1
Show InChI InChI=1S/C30H35Cl2FN4O2/c31-23-13-26(32)29-34-14-28(37(29)17-23)20-7-9-35(10-8-20)15-22-16-36(27(30(38)39)11-19-3-1-4-19)18-25(22)21-5-2-6-24(33)12-21/h2,5-6,12-14,17,19-20,22,25,27H,1,3-4,7-11,15-16,18H2,(H,38,39)/t22-,25+,27+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed on CHO cell membranes


Bioorg Med Chem Lett 15: 2129-34 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.030
BindingDB Entry DOI: 10.7270/Q21C1WD7
More data for this
Ligand-Target Pair