Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 423.7 BDBM50205778

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50205778 (1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-ethylpip...) Show SMILES CCN1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C20H24BrClN2O/c1-2-23-9-11-24(12-10-23)14-17-13-18(21)5-8-20(17)25-15-16-3-6-19(22)7-4-16/h3-8,13H,2,9-12,14-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/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
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