Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 376.8 BDBM50197755

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))	BDBM50197755 ((2E)-2-(1-{5-chloro-2-[(4-fluorobenzyl)oxy]phenyl}...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(Cl)ccc1-[#8]-[#6]-c1ccc(F)cc1 |w:5.5| Show InChI InChI=1S/C19H22ClFN4O/c1-12(2)9-17(24-25-19(22)23)16-10-14(20)5-8-18(16)26-11-13-3-6-15(21)7-4-13/h3-8,10,12H,9,11H2,1-2H3,(H4,22,23,25)	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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