Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 476.5 BDBM50013307

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))	BDBM50013307 (CHEMBL3263024) Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)N1CCN(Cc2cccc(c2)[N+]([O-])=O)CC1 Show InChI InChI=1S/C25H28N6O4/c1-18(2)35-24-7-6-20(15-22(24)28-25(32)23-16-26-8-9-27-23)30-12-10-29(11-13-30)17-19-4-3-5-21(14-19)31(33)34/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of RANTES-stimulated calcium mobilization treated ...				Bioorg Med Chem Lett 24: 2319-23 (2014) Article DOI: 10.1016/j.bmcl.2014.03.073 BindingDB Entry DOI: 10.7270/Q29C6ZZM
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