Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 467.0 BDBM459130

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)	BDBM459130 (US10759796, Compound I-127) Show SMILES CC(C)N1[C@H](CCC[C@H]1c1ncccc1C)c1nc2cccc(N3CCN(C)CC3)n2c1Cl |r| Show InChI InChI=1S/C26H35ClN6/c1-18(2)32-20(24-19(3)8-7-13-28-24)9-5-10-21(32)25-26(27)33-22(29-25)11-6-12-23(33)31-16-14-30(4)15-17-31/h6-8,11-13,18,20-21H,5,9-10,14-17H2,1-4H3/t20-,21+/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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