Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 665.8 BDBM50205780

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))	BDBM50205780 (1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydr...) Show SMILES Cc1cc(Br)cc(C)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C29H32Br2ClN3O3/c1-19-13-24(31)14-20(2)27(19)34-28(36)33-18-29(37)9-11-35(12-10-29)16-22-15-23(30)5-8-26(22)38-17-21-3-6-25(32)7-4-21/h3-8,13-15,37H,9-12,16-18H2,1-2H3,(H2,33,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	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