Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 488.5 BDBM50013324

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))	BDBM50013324 (CHEMBL3263321) Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)N1CCN(Cc2ccc(NC(C)=O)cc2)CC1 Show InChI InChI=1S/C27H32N6O3/c1-19(2)36-26-9-8-23(16-24(26)31-27(35)25-17-28-10-11-29-25)33-14-12-32(13-15-33)18-21-4-6-22(7-5-21)30-20(3)34/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,30,34)(H,31,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.56E+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
					More data for this Ligand-Target Pair