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SMILES: COC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2CCN(Cc12)C(C)=O)c1cccc(F)c1

InChI Key: InChIKey=RAROXORHFWXNDX-KEZOAJOQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50334973   
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))		BDBM50334973
PNG
(CHEMBL1649926 | endo-methyl(S)-3-(3-(5-acetyl-2-me...)
Show SMILES COC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2CCN(Cc12)C(C)=O)c1cccc(F)c1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C27H36FN5O3/c1-17-29-25-9-11-31(18(2)34)16-26(25)33(17)23-14-21-7-8-22(15-23)32(21)12-10-24(30-27(35)36-3)19-5-4-6-20(28)13-19/h4-6,13,21-24H,7-12,14-16H2,1-3H3,(H,30,35)/t21-,22+,23+,24-/m0/s1
PDB

KEGG

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antibodypedia
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Similars
Article
PubMed
n/an/a 0.200n/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