Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 505.4 BDBM50134080

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))	BDBM50134080 (CHEMBL142022 | [4-(4-Bromo-benzyl)-4'-methyl-[1,4'...) Show SMILES CC1(CCN(CC1)C(=O)c1cccc2ccccc12)N1CCC(Cc2ccc(Br)cc2)CC1 Show InChI InChI=1S/C29H33BrN2O/c1-29(32-17-13-23(14-18-32)21-22-9-11-25(30)12-10-22)15-19-31(20-16-29)28(33)27-8-4-6-24-5-2-3-7-26(24)27/h2-12,23H,13-21H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lindsley F. Kimball Research Institute of The New York Blood Center Curated by ChEMBL					Assay Description Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)				J Med Chem 46: 4501-15 (2003) Article DOI: 10.1021/jm030265z BindingDB Entry DOI: 10.7270/Q2SB46GG
					More data for this Ligand-Target Pair