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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 = 50319435   
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))
BDBM50319435
PNG
((R)-3-(1'-(4,6-dimethylpyrimidine-5-carbonyl)-4'-m...)
Show SMILES CO[C@H]1CC[C@H](CN2C[C@H](N(C3CCN(CC3)C3(C)CCN(CC3)C(=O)c3c(C)ncnc3C)C2=O)c2ccccc2)CC1
Show InChI InChI=1S/C35H50N6O3/c1-25-32(26(2)37-24-36-25)33(42)38-20-16-35(3,17-21-38)40-18-14-29(15-19-40)41-31(28-8-6-5-7-9-28)23-39(34(41)43)22-27-10-12-30(44-4)13-11-27/h5-9,24,27,29-31H,10-23H2,1-4H3/t27-,30-,31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Binding affinity at CCR5 receptor by radiolabelled RANTES binding assay


Bioorg Med Chem Lett 20: 3219-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.077
BindingDB Entry DOI: 10.7270/Q2FT8M63
More data for this
Ligand-Target Pair