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SMILES: COC(=O)N1CCc2nc(C)n([C@@H]3C[C@@H]4CC[C@H](C3)N4CC[C@H](NC(C)=O)c3cccc(F)c3)c2C1

InChI Key: InChIKey=IZAPOECBOCZPMS-KEZOAJOQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50334975   
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))		BDBM50334975
PNG
(CHEMBL1649924 | endo-methyl 3-(8-((S)-3-acetamido-...)
Show SMILES COC(=O)N1CCc2nc(C)n([C@@H]3C[C@@H]4CC[C@H](C3)N4CC[C@H](NC(C)=O)c3cccc(F)c3)c2C1 |r,THB:20:19:13.12.18:15.16|
Show InChI InChI=1S/C27H36FN5O3/c1-17-29-25-9-11-31(27(35)36-3)16-26(25)33(17)23-14-21-7-8-22(15-23)32(21)12-10-24(30-18(2)34)19-5-4-6-20(28)13-19/h4-6,13,21-24H,7-12,14-16H2,1-3H3,(H,30,34)/t21-,22+,23+,24-/m0/s1
PDB

KEGG

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antibodypedia
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Similars
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-ta...

J Med Chem 54: 67-77 (2011)


Article DOI: 10.1021/jm100978n
BindingDB Entry DOI: 10.7270/Q2RV0PNV
More data for this
Ligand-Target Pair