Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 515.2 BDBM50339965

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))	BDBM50339965 (CHEMBL1762311 | N-(3-(4-((4-bromophenyl)(hydroxy)m...) Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(O)c1ccc(Br)cc1 Show InChI InChI=1S/C22H26BrCl2N3O2/c1-14(6-9-27-22(30)20-18(24)12-26-13-19(20)25)28-10-7-16(8-11-28)21(29)15-2-4-17(23)5-3-15/h2-5,12-14,16,21,29H,6-11H2,1H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells				Bioorg Med Chem Lett 21: 2450-5 (2011) Article DOI: 10.1016/j.bmcl.2011.02.058 BindingDB Entry DOI: 10.7270/Q2F76CV3
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