Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 566.7 BDBM50096572

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))	BDBM50096572 (1'-[3-benzo[d][1,3]dioxol-5-yl-4-methyl(phenyl)sul...) Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc2OCOc2c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H34N2O5S2/c1-31(39(34,35)25-7-3-2-4-8-25)20-24(23-11-12-27-28(19-23)37-22-36-27)13-16-32-17-14-30(15-18-32)21-38(33)29-10-6-5-9-26(29)30/h2-12,19,24H,13-18,20-22H2,1H3/t24-,38?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	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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