Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 326.4 BDBM50337569

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-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50337569 (CHEMBL1682862 | rac-2-(((4-aminobutyl)(5,6,7,8-tet...) Show SMILES NCCCCN(Cc1ncccc1O)C1CCCc2cccnc12 Show InChI InChI=1S/C19H26N4O/c20-10-1-2-13-23(14-16-18(24)9-5-11-21-16)17-8-3-6-15-7-4-12-22-19(15)17/h4-5,7,9,11-12,17,24H,1-3,6,8,10,13-14,20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling				Bioorg Med Chem Lett 21: 1414-8 (2011) Article DOI: 10.1016/j.bmcl.2011.01.021 BindingDB Entry DOI: 10.7270/Q2FT8M9F
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