Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 471.0 BDBM50104223

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))	BDBM50104223 (CHEMBL82207 | N-[(S)-2-(3-Chloro-phenyl)-4-(methyl...) Show SMILES CN(CC[C@H](CN(C)S(=O)(=O)c1ccccc1)c1cccc(Cl)c1)CCc1ccccc1 Show InChI InChI=1S/C26H31ClN2O2S/c1-28(18-16-22-10-5-3-6-11-22)19-17-24(23-12-9-13-25(27)20-23)21-29(2)32(30,31)26-14-7-4-8-15-26/h3-15,20,24H,16-19,21H2,1-2H3/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells; completely inactive				Bioorg Med Chem Lett 11: 2469-73 (2001) BindingDB Entry DOI: 10.7270/Q26T0KWF
					More data for this Ligand-Target Pair