Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 543.5 BDBM389717

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))	BDBM389717 (US9951063, 36) Show SMILES CCOc1ncc(cn1)N1CCc2c(C1)c(ccc2C(F)(F)F)N1CCN([C@@H](C)C1)C(=O)Cn1ccc(C)n1 Show InChI InChI=1S/C27H32F3N7O2/c1-4-39-26-31-13-20(14-32-26)34-9-8-21-22(16-34)24(6-5-23(21)27(28,29)30)35-11-12-37(19(3)15-35)25(38)17-36-10-7-18(2)33-36/h5-7,10,13-14,19H,4,8-9,11-12,15-17H2,1-3H3/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.27	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
					More data for this Ligand-Target Pair