Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 439.7 BDBM50205758

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))	BDBM50205758 (1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-(aminome...) Show SMILES NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C20H24BrClN2O2/c21-17-3-6-19(26-13-15-1-4-18(22)5-2-15)16(11-17)12-24-9-7-20(25,14-23)8-10-24/h1-6,11,25H,7-10,12-14,23H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	579	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))	BDBM50205758 (1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-(aminome...) Show SMILES NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C20H24BrClN2O2/c21-17-3-6-19(26-13-15-1-4-18(22)5-2-15)16(11-17)12-24-9-7-20(25,14-23)8-10-24/h1-6,11,25H,7-10,12-14,23H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	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
					More data for this Ligand-Target Pair