Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 558.5 BDBM389735

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 3 (Homo sapiens (Human))	BDBM389735 (US9951063, 54) Show SMILES CCOc1ncc(cn1)N1CCc2c(C1)c(ccc2C(F)(F)F)N1CCN([C@H](C)C1)C(=O)Cn1nc(C)nc1C Show InChI InChI=1S/C27H33F3N8O2/c1-5-40-26-31-12-20(13-32-26)35-9-8-21-22(15-35)24(7-6-23(21)27(28,29)30)36-10-11-37(17(2)14-36)25(39)16-38-19(4)33-18(3)34-38/h6-7,12-13,17H,5,8-11,14-16H2,1-4H3/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.22	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Research Laboratories USA					Assay Description The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...				Bioorg Med Chem Lett 17: 3473-9 (2007) BindingDB Entry DOI: 10.7270/Q20R9RRK
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