Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 586.5 BDBM389683

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))	BDBM389683 (US9951063, 2) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)cc1C)c1ccc(c2CCN(Cc12)c1nc(cs1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H28F6N6OS/c1-15-10-16(2)38(34-15)13-23(39)37-9-8-35(11-17(37)3)21-5-4-20(25(27,28)29)18-6-7-36(12-19(18)21)24-33-22(14-40-24)26(30,31)32/h4-5,10,14,17H,6-9,11-13H2,1-3H3/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.07	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