Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 452.6 BDBM50458292

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))	BDBM50458292 (CHEMBL4218011) Show SMILES Nc1cc(nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1)N1CCNCC1 Show InChI InChI=1S/C25H40N8/c26-23-17-24(33-15-13-27-14-16-33)32-25(31-23)30-19-21-9-7-20(8-10-21)18-28-11-4-12-29-22-5-2-1-3-6-22/h7-10,17,22,27-29H,1-6,11-16,18-19H2,(H3,26,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Central South University Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 (unknown origin)				Eur J Med Chem 149: 148-169 (2018) Article DOI: 10.1016/j.ejmech.2018.02.043 BindingDB Entry DOI: 10.7270/Q2F76G5C
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