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SMILES: Cc1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCOC1)c1cccc(F)c1

InChI Key: InChIKey=BWYQRSQZYRIDBK-ZADQPKDQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50312845   
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))		BDBM50312845
PNG
(CHEMBL1087534 | 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)C1CCOC1)c1cccc(F)c1 |r,THB:15:14:13.7.8:11.10|
Show InChI InChI=1S/C25H34FN5O2/c1-16-28-29-17(2)31(16)23-13-21-6-7-22(14-23)30(21)10-8-24(18-4-3-5-20(26)12-18)27-25(32)19-9-11-33-15-19/h3-5,12,19,21-24H,6-11,13-15H2,1-2H3,(H,27,32)/t19?,21-,22+,23+,24-/m0/s1
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Article
PubMed
n/an/a 7n/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