Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 361.2 BDBM50197782

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))	BDBM50197782 ((2E)-2-{5-bromo-2-[(3-methylbenzyl)oxy]benzylidene...) Show SMILES [#6]-c1cccc(-[#6]-[#8]-c2ccc(Br)cc2-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1 |w:15.15| Show InChI InChI=1S/C16H17BrN4O/c1-11-3-2-4-12(7-11)10-22-15-6-5-14(17)8-13(15)9-20-21-16(18)19/h2-9H,10H2,1H3,(H4,18,19,21)	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))	BDBM50197782 ((2E)-2-{5-bromo-2-[(3-methylbenzyl)oxy]benzylidene...) Show SMILES [#6]-c1cccc(-[#6]-[#8]-c2ccc(Br)cc2-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1 |w:15.15| Show InChI InChI=1S/C16H17BrN4O/c1-11-3-2-4-12(7-11)10-22-15-6-5-14(17)8-13(15)9-20-21-16(18)19/h2-9H,10H2,1H3,(H4,18,19,21)	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