Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 632.6 BDBM50100598

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))	BDBM50100598 (CHEMBL2031844) Show SMILES C[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(CNC(=O)c2ccc(cc2)C(F)(F)F)cc1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C34H35F3N6O3/c1-21(27-9-4-7-23-6-2-3-8-28(23)27)42-32(46)29(10-5-19-40-33(38)39)43-31(45)25-13-11-22(12-14-25)20-41-30(44)24-15-17-26(18-16-24)34(35,36)37/h2-4,6-9,11-18,21,29H,5,10,19-20H2,1H3,(H,41,44)(H,42,46)(H,43,45)(H4,38,39,40)/t21-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of CXCR4 (unknown origin)				Bioorg Med Chem 22: 4759-69 (2014) Article DOI: 10.1016/j.bmc.2014.07.004 BindingDB Entry DOI: 10.7270/Q2XG9SVZ
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