Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 530.6 BDBM50096579

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))	BDBM50096579 (CHEMBL91413 | N-Methyl-N-[4-(4-phenyl-piperidin-1-...) Show SMILES CN(CC(CCN1CCC(CC1)c1ccccc1)c1cccc(c1)C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H33F3N2O2S/c1-33(37(35,36)28-13-6-3-7-14-28)22-26(25-11-8-12-27(21-25)29(30,31)32)17-20-34-18-15-24(16-19-34)23-9-4-2-5-10-23/h2-14,21,24,26H,15-20,22H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	500	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