Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 446.6 BDBM459068

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)	BDBM459068 (US10759796, Compound I-37) Show SMILES CCN1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(cccc2n1)N1CCN(CC1)C(C)C |r| Show InChI InChI=1S/C27H38N6/c1-5-32-23(10-6-11-24(32)27-21(4)9-8-14-28-27)22-19-33-25(29-22)12-7-13-26(33)31-17-15-30(16-18-31)20(2)3/h7-9,12-14,19-20,23-24H,5-6,10-11,15-18H2,1-4H3/t23-,24+/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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