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SMILES: Cc1nnc(C)n1[C@@H]1C[C@H]2CN(CC[C@H](NC(=O)C3CCOCC3)c3cccc(F)c3)C[C@H]2C1

InChI Key: InChIKey=WKSLSTLBQGAPKU-AICRDVKUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50312853   
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))		BDBM50312853
PNG
(CHEMBL1081477 | Exo-N-((S)-3-(5-(3,5-dimethyl-4H-1...)
Show SMILES Cc1nnc(C)n1[C@@H]1C[C@H]2CN(CC[C@H](NC(=O)C3CCOCC3)c3cccc(F)c3)C[C@H]2C1 |r|
Show InChI InChI=1S/C26H36FN5O2/c1-17-29-30-18(2)32(17)24-13-21-15-31(16-22(21)14-24)9-6-25(20-4-3-5-23(27)12-20)28-26(33)19-7-10-34-11-8-19/h3-5,12,19,21-22,24-25H,6-11,13-16H2,1-2H3,(H,28,33)/t21-,22+,24+,25-/m0/s1
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PubMed
n/an/a 43n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Displacement of [128I]RANTES from human CCR5 receptor coexpressed with Galphai6 in CHO cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 20: 1674-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.080
BindingDB Entry DOI: 10.7270/Q23B6131
More data for this
Ligand-Target Pair