Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 411.6 BDBM50197754

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))	BDBM50197754 ((2E)-2-{5-bromo-2-[(4-chlorobenzyl)oxy]-3-methoxyb...) Show SMILES [#6]-[#8]-c1cc(Br)cc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1-[#8]-[#6]-c1ccc(Cl)cc1 |w:8.7| Show InChI InChI=1S/C16H16BrClN4O2/c1-23-14-7-12(17)6-11(8-21-22-16(19)20)15(14)24-9-10-2-4-13(18)5-3-10/h2-8H,9H2,1H3,(H4,19,20,22)	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/CD4 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 231-4 (2006) Article DOI: 10.1016/j.bmcl.2006.09.052 BindingDB Entry DOI: 10.7270/Q2FQ9W8N
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