Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 539.7 BDBM221789

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))	BDBM221789 (US9314468, Table 7, Compound 76) Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(N)CC3)c12)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C32H41N7O/c33-15-3-4-18-38(29-11-5-7-23-8-6-16-36-31(23)29)21-27-32-26(12-17-35-27)25-9-1-2-10-28(25)39(32)22-30(40)37-19-13-24(34)14-20-37/h1-2,6,8-10,12,16-17,24,29H,3-5,7,11,13-15,18-22,33-34H2/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.39E+3	n/a	n/a	n/a	n/a	n/a	37
Altiris Therapeutics, Inc. US Patent					Assay Description Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...				US Patent US9314468 (2016) BindingDB Entry DOI: 10.7270/Q2DF6Q2P
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