Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 392.2 BDBM50197785

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

Found 2 hits 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))	BDBM50197785 ((2E)-2-{5-bromo-2-[(3-nitrobenzyl)oxy]benzylidene}...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Br)ccc1-[#8]-[#6]-c1cccc(c1)-[#7+](-[#8-])=O |w:5.5| Show InChI InChI=1S/C15H14BrN5O3/c16-12-4-5-14(11(7-12)8-19-20-15(17)18)24-9-10-2-1-3-13(6-10)21(22)23/h1-8H,9H2,(H4,17,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50197785 ((2E)-2-{5-bromo-2-[(3-nitrobenzyl)oxy]benzylidene}...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Br)ccc1-[#8]-[#6]-c1cccc(c1)-[#7+](-[#8-])=O |w:5.5| Show InChI InChI=1S/C15H14BrN5O3/c16-12-4-5-14(11(7-12)8-19-20-15(17)18)24-9-10-2-1-3-13(6-10)21(22)23/h1-8H,9H2,(H4,17,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	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
					More data for this Ligand-Target Pair