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SMILES: Cc1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCOCC1)c1cccc(F)c1

InChI Key: InChIKey=JTGYBUPIVTYVRH-LIONHTAISA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50312847   
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))		BDBM50312847
PNG
(CHEMBL1087028 | N-((S)-3-((1R,3S,5S)-3-(3,5-dimeth...)
Show SMILES Cc1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCOCC1)c1cccc(F)c1 |r,THB:15:14:13.7.8:11.10|
Show InChI InChI=1S/C26H36FN5O2/c1-17-29-30-18(2)32(17)24-15-22-6-7-23(16-24)31(22)11-8-25(20-4-3-5-21(27)14-20)28-26(33)19-9-12-34-13-10-19/h3-5,14,19,22-25H,6-13,15-16H2,1-2H3,(H,28,33)/t22-,23+,24+,25-/m0/s1
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Article
PubMed
n/an/a 13n/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