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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 = 50325323   
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))
BDBM50325323
PNG
(4-((3-allyl-3-((1R,3S,5S)-8-(((3S,4R)-1-(cyclopent...)
Show SMILES CN(C)S(=O)(=O)c1ccc(CNC(=O)N(CC=C)[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@H]2CN(C[C@]2(O)c2cccc(F)c2)C(=O)C2CCCC2)cc1
Show InChI InChI=1S/C37H50FN5O5S/c1-4-18-42(36(45)39-22-26-12-16-34(17-13-26)49(47,48)40(2)3)33-20-31-14-15-32(21-33)43(31)24-29-23-41(35(44)27-8-5-6-9-27)25-37(29,46)28-10-7-11-30(38)19-28/h4,7,10-13,16-17,19,27,29,31-33,46H,1,5-6,8-9,14-15,18,20-25H2,2-3H3,(H,39,45)/t29-,31-,32+,33+,37+/m1/s1
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Similars

Article
PubMed
n/an/a 11.4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5334-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.046
BindingDB Entry DOI: 10.7270/Q2J67H49
More data for this
Ligand-Target Pair