Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 390.5 BDBM459044

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 (Bovine)	BDBM459044 (US10759796, Compound I-4) Show SMILES CN1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(cccc2n1)N1CCNCC1 |r| Show InChI InChI=1S/C23H30N6/c1-17-6-5-11-25-23(17)20-8-3-7-19(27(20)2)18-16-29-21(26-18)9-4-10-22(29)28-14-12-24-13-15-28/h4-6,9-11,16,19-20,24H,3,7-8,12-15H2,1-2H3/t19-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
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