Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 416.5 BDBM459161

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)	BDBM459161 (US10759796, Compound I-186) Show SMILES CN1CC2CCC(C1)N2c1cccc2nc(cn12)[C@H]1CCC[C@H](N1)c1ncccc1C |r| Show InChI InChI=1S/C25H32N6/c1-17-6-5-13-26-25(17)21-8-3-7-20(27-21)22-16-30-23(28-22)9-4-10-24(30)31-18-11-12-19(31)15-29(2)14-18/h4-6,9-10,13,16,18-21,27H,3,7-8,11-12,14-15H2,1-2H3/t18?,19?,20-,21+/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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