Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 426.5 BDBM50333894

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))	BDBM50333894 (CHEMBL1644073 | [4-((((1H-benzo[d]imidazol-2-yl)me...) Show SMILES NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c(CN)c1 Show InChI InChI=1S/C26H30N6/c27-14-18-10-11-20(21(13-18)15-28)16-32(17-25-30-22-7-1-2-8-23(22)31-25)24-9-3-5-19-6-4-12-29-26(19)24/h1-2,4,6-8,10-13,24H,3,5,9,14-17,27-28H2,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	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 expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling				Bioorg Med Chem Lett 21: 262-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.023 BindingDB Entry DOI: 10.7270/Q21N81D9
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