Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 393.5 BDBM194540

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 (Rattus norvegicus (Rat))	BDBM194540 (US9205085, MSX- 166) Show SMILES C(Nc1ccccc1)c1cc(CNc2ccccc2)cc(CNc2ccccc2)c1 Show InChI InChI=1S/C27H27N3/c1-4-10-25(11-5-1)28-19-22-16-23(20-29-26-12-6-2-7-13-26)18-24(17-22)21-30-27-14-8-3-9-15-27/h1-18,28-30H,19-21H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University US Patent					Assay Description A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high ...				US Patent US9205085 (2015) BindingDB Entry DOI: 10.7270/Q2FF3R5M
					More data for this Ligand-Target Pair