Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 544.7 BDBM50096548

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))	BDBM50096548 (1'-[4-methyl(phenyl)sulfonamido-3-(3-thienyl)butyl...) Show SMILES CN(CC(CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1ccsc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C27H32N2O4S3/c1-28(36(32,33)24-7-3-2-4-8-24)19-22(23-12-18-34-20-23)11-15-29-16-13-27(14-17-29)21-35(30,31)26-10-6-5-9-25(26)27/h2-10,12,18,20,22H,11,13-17,19,21H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against specific binding of [125I]-MIP-1 alpha to human CCR5 receptor.				Bioorg Med Chem Lett 11: 265-70 (2001) BindingDB Entry DOI: 10.7270/Q2668CFZ
					More data for this Ligand-Target Pair