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SMILES: COC[C@H](N1CCN(C[C@@H]1C)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)cc(nc1C)C#N)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=UIPCWPCYJAMQNJ-CVPZMFSKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50313875   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50313875
PNG
(5-((3aR,6aS)-5-((S)-4-((R)-2-methoxy-1-(4-(trifluo...)
Show SMILES COC[C@H](N1CCN(C[C@@H]1C)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)cc(nc1C)C#N)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C31H38F3N5O2/c1-19-11-26(14-35)36-21(3)29(19)30(40)38-16-23-12-27(13-24(23)17-38)37-9-10-39(20(2)15-37)28(18-41-4)22-5-7-25(8-6-22)31(32,33)34/h5-8,11,20,23-24,27-28H,9-10,12-13,15-18H2,1-4H3/t20-,23-,24+,27?,28-/m0/s1
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Article
PubMed
n/an/a>500n/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