Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 481.0 BDBM459133

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)	BDBM459133 (US10759796, Compound I-135) Show SMILES CN1C2CCC1CN(C2)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3Cl)c(CO)n12 |r| Show InChI InChI=1S/C26H33ClN6O/c1-30-17-11-12-18(30)15-32(14-17)24-10-4-9-23-29-26(22(16-34)33(23)24)21-8-3-7-20(31(21)2)25-19(27)6-5-13-28-25/h4-6,9-10,13,17-18,20-21,34H,3,7-8,11-12,14-16H2,1-2H3/t17?,18?,20-,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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