Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 298.4 BDBM50337579

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))	BDBM50337579 (CHEMBL1682991 | rac-N1-((6-methylpyridin-2-yl)meth...) Show SMILES CC(N(CCCCN)Cc1cccc(C)n1)c1ccccn1 Show InChI InChI=1S/C18H26N4/c1-15-8-7-9-17(21-15)14-22(13-6-4-11-19)16(2)18-10-3-5-12-20-18/h3,5,7-10,12,16H,4,6,11,13-14,19H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	183	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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