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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 = 50329234   
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))
BDBM50329234
PNG
((4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-(1-(is...)
Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)C(CCN1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)c1ccccc1
Show InChI InChI=1/C30H43N5O3S/c1-21(2)39(37,38)35-14-10-25(11-15-35)28(24-8-6-5-7-9-24)12-13-33-16-26-18-34(19-27(26)17-33)30(36)29-22(3)31-20-32-23(29)4/h5-9,20-21,25-28H,10-19H2,1-4H3/t26-,27+,28?
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 99n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibition of CCR5 by cell-cell fusion inhibition assay


Bioorg Med Chem Lett 20: 6802-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.118
BindingDB Entry DOI: 10.7270/Q29G5N1F
More data for this
Ligand-Target Pair