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SMILES: COc1cccc(OC)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1

InChI Key: InChIKey=SHOPLBXNUOLWBL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50205764   
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))		BDBM50205764
PNG
(1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydr...)
Show SMILES COc1cccc(OC)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C29H33BrClN3O5/c1-37-25-4-3-5-26(38-2)27(25)33-28(35)32-19-29(36)12-14-34(15-13-29)17-21-16-22(30)8-11-24(21)39-18-20-6-9-23(31)10-7-20/h3-11,16,36H,12-15,17-19H2,1-2H3,(H2,32,33,35)
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KEGG

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Similars
Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair