Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 544.7 BDBM50096550

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))	BDBM50096550 (1'-[4-methyl(phenyl)sulfonamido-3-(2-thienyl)butyl...) Show SMILES CN(CC(CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1cccs1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C27H32N2O4S3/c1-28(36(32,33)23-8-3-2-4-9-23)20-22(25-11-7-19-34-25)13-16-29-17-14-27(15-18-29)21-35(30,31)26-12-6-5-10-24(26)27/h2-12,19,22H,13-18,20-21H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	110	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
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