Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 489.5 BDBM50013315

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))	BDBM50013315 (CHEMBL3263030) Show SMILES COC(=O)c1ccc(CN2CCN(CC2)c2ccc(OC(C)C)c(NC(=O)c3cnccn3)c2)cc1 Show InChI InChI=1S/C27H31N5O4/c1-19(2)36-25-9-8-22(16-23(25)30-26(33)24-17-28-10-11-29-24)32-14-12-31(13-15-32)18-20-4-6-21(7-5-20)27(34)35-3/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+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
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