Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 441.6 BDBM50160687

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))	BDBM50160687 (CHEMBL362637 | N-Methyl-N-[(S)-2-methyl-4-(octahyd...) Show SMILES CN(C[C@@](C)(CCN1CCC2NCCC2C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C25H35N3O2S/c1-25(22-9-5-3-6-10-22,15-18-28-17-14-24-21(19-28)13-16-26-24)20-27(2)31(29,30)23-11-7-4-8-12-23/h3-12,21,24,26H,13-20H2,1-2H3/t21?,24?,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand				Bioorg Med Chem Lett 15: 977-82 (2005) Article DOI: 10.1016/j.bmcl.2004.12.044 BindingDB Entry DOI: 10.7270/Q2G44PSF
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