Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 424.9 BDBM459141

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)	BDBM459141 (US10759796, Compound I-146) Show SMILES CN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3)c3ncccc3C)c(Cl)n12 |r| Show InChI InChI=1S/C23H29ClN6/c1-16-6-5-11-25-21(16)17-7-3-8-18(26-17)22-23(24)30-19(27-22)9-4-10-20(30)29-14-12-28(2)13-15-29/h4-6,9-11,17-18,26H,3,7-8,12-15H2,1-2H3/t17-,18+/m0/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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