Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 547.7 BDBM50306049

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))	BDBM50306049 ((S)-3-benzyl-1-butyl-9-(3-(phenylthio)phenethyl)-1...) Show SMILES CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCc2cccc(Sc3ccccc3)c2)CC1 |r| Show InChI InChI=1S/C33H45N3O2S/c1-2-3-20-36-31(37)30(25-26-11-6-4-7-12-26)34-32(38)33(36)18-22-35(23-19-33)21-17-27-13-10-16-29(24-27)39-28-14-8-5-9-15-28/h5,8-10,13-16,24,26,30H,2-4,6-7,11-12,17-23,25H2,1H3,(H,34,38)/t30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP1alpha-induced calcium mobilization				Bioorg Med Chem Lett 20: 763-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.018 BindingDB Entry DOI: 10.7270/Q2NK3F4P
					More data for this Ligand-Target Pair