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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 = 50313878   
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))
BDBM50313878
PNG
(5-((3aR,6aS)-5-((S)-4-((1S,2S)-2-ethoxy-5-(trifluo...)
Show SMILES CCO[C@H]1Cc2cc(ccc2[C@@H]1N1CCN(C[C@@H]1C)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)cc(nc1C)C#N)C(F)(F)F
Show InChI InChI=1/C33H40F3N5O2/c1-5-43-29-14-22-11-25(33(34,35)36)6-7-28(22)31(29)41-9-8-39(16-20(41)3)27-12-23-17-40(18-24(23)13-27)32(42)30-19(2)10-26(15-37)38-21(30)4/h6-7,10-11,20,23-24,27,29,31H,5,8-9,12-14,16-18H2,1-4H3/t20-,23-,24+,27?,29-,31-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Displacement of [128I]-RANTES from CCR5 receptor receptors expressed in CHO cells


Bioorg Med Chem Lett 20: 1830-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.004
BindingDB Entry DOI: 10.7270/Q25Q4W7T
More data for this
Ligand-Target Pair