Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 477.6 BDBM50013323

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))	BDBM50013323 (CHEMBL3263320) Show SMILES CSc1ccc(CN2CCN(CC2)c2ccc(OC(C)C)c(NC(=O)c3cnccn3)c2)cc1 Show InChI InChI=1S/C26H31N5O2S/c1-19(2)33-25-9-6-21(16-23(25)29-26(32)24-17-27-10-11-28-24)31-14-12-30(13-15-31)18-20-4-7-22(34-3)8-5-20/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	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
					More data for this Ligand-Target Pair