Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 534.5 BDBM389697

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))	BDBM389697 (US9951063, 16) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1ccc(c2CCN(Cc12)c1ccccc1)C(F)(F)F Show InChI InChI=1S/C29H29F3N6O/c1-20-16-36(14-15-38(20)27(39)18-37-19-34-25-8-5-12-33-28(25)37)26-10-9-24(29(30,31)32)22-11-13-35(17-23(22)26)21-6-3-2-4-7-21/h2-10,12,19-20H,11,13-18H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.19	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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